1-[(4-chlorophenyl)methylsulfanyl]-3-oxidanylidene-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile

Systemtic Name: 1-[(4-chlorophenyl)methylsulfanyl]-3-oxidanylidene-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile Openeye Name: 1-[(4-chlorophenyl)methylsulfanyl]-3-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile CAS Name: 1-[(4-chlorophenyl)methylthio]-3-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile IUPAC Name: 1-[(4-chlorophenyl)methylsulfanyl]-3-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile Traditional Name: 1-[(4-chlorobenzyl)thio]-3-keto-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile Formula: C17H15ClN2OS MolecularWeight: 330.8318

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(NC(=O)C(=C2C1)C#N)SCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCC2=C(NC(=O)C(=C2C1)C#N)SCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H15ClN2OS/c18-12-7-5-11(6-8-12)10-22-17-14-4-2-1-3-13(14)15(9-19)16(21)20-17/h5-8H,1-4,10H2,(H,20,21)