2-(4-isothiocyanatophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-(4-isothiocyanatophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline Openeye Name: 2-(4-isothiocyanatophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline CAS Name: 2-(4-isothiocyanatophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-(4-isothiocyanatophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline Traditional Name: 2-(4-isothiocyanatophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline Formula: C16H14N2O2S2 MolecularWeight: 330.42456

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)N=C=S

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)N=C=S

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