4-(5-Cyano-2-pyridinyl)hexahydro-N-methyl-1H-1,4-diazepine-1-carbothioamide

CAS Registry Number®

519056-55-4
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CAS Name

4-(5-Cyano-2-pyridinyl)hexahydro-N-methyl-1H-1,4-diazepine-1-carbothioamide

Molecular Formula

C13H17N5S

Molecular Mass

275.37

Cite this Page

4-(5-Cyano-2-pyridinyl)hexahydro-N-methyl-1H-1,4-diazepine-1-carbothioamide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=519056-55-4 (retrieved 2024-09-09) (CAS RN: 519056-55-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H17N5S/c1-15-13(19)18-6-2-5-17(7-8-18)12-4-3-11(9-14)10-16-12/h3-4,10H,2,5-8H2,1H3,(H,15,19)

InChIKey

InChIKey=GKJXCQHGIYRYHF-UHFFFAOYSA-N

SMILES

C(#N)C1=CC=C(N=C1)N2CCN(C(NC)=S)CCC2

Canonical SMILES

N#CC1=CN=C(C=C1)N2CCN(C(=S)NC)CCC2

Other Names for this Substance

  • 1H-1,4-Diazepine-1-carbothioamide, 4-(5-cyano-2-pyridinyl)hexahydro-N-methyl-
  • 4-(5-Cyano-2-pyridinyl)hexahydro-N-methyl-1H-1,4-diazepine-1-carbothioamide