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

Systemtic Name: 1-[(2-chlorophenyl)methylsulfanyl]-3-oxidanylidene-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile Openeye Name: 1-[(2-chlorophenyl)methylsulfanyl]-3-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile CAS Name: 1-[(2-chlorophenyl)methylthio]-3-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile IUPAC Name: 1-[(2-chlorophenyl)methylsulfanyl]-3-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile Traditional Name: 1-[(2-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=CC=C3Cl

Isomeric SMILES

C1CCC2=C(NC(=O)C(=C2C1)C#N)SCC3=CC=CC=C3Cl

InChI

InChI=1S/C17H15ClN2OS/c18-15-8-4-1-5-11(15)10-22-17-13-7-3-2-6-12(13)14(9-19)16(21)20-17/h1,4-5,8H,2-3,6-7,10H2,(H,20,21)