1,2,3,4-Tetrahydro-2-[(4-isothiocyanatophenyl)sulfonyl]isoquinoline

CAS Registry Number®

956576-70-8
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CAS Name

1,2,3,4-Tetrahydro-2-[(4-isothiocyanatophenyl)sulfonyl]isoquinoline

Molecular Formula

C16H14N2O2S2

Molecular Mass

330.42

Cite this Page

1,2,3,4-Tetrahydro-2-[(4-isothiocyanatophenyl)sulfonyl]isoquinoline.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=956576-70-8 (retrieved 2024-07-31) (CAS RN: 956576-70-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H14N2O2S2/c19-22(20,16-7-5-15(6-8-16)17-12-21)18-10-9-13-3-1-2-4-14(13)11-18/h1-8H,9-11H2

InChIKey

InChIKey=FBMNUNRKHMOXIA-UHFFFAOYSA-N

SMILES

S(=O)(=O)(N1CC=2C(CC1)=CC=CC2)C3=CC=C(N=C=S)C=C3

Canonical SMILES

O=S(=O)(C1=CC=C(N=C=S)C=C1)N2CC=3C=CC=CC3CC2

Other Names for this Substance

  • Isoquinoline, 1,2,3,4-tetrahydro-2-[(4-isothiocyanatophenyl)sulfonyl]-
  • 1,2,3,4-Tetrahydro-2-[(4-isothiocyanatophenyl)sulfonyl]isoquinoline