1-(3-chlorophenyl)-3-sulfanylidene-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile

Systemtic Name: 1-(3-chlorophenyl)-3-sulfanylidene-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile Openeye Name: 1-(3-chlorophenyl)-3-thioxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile CAS Name: 1-(3-chlorophenyl)-3-sulfanylidene-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile IUPAC Name: 1-(3-chlorophenyl)-3-sulfanylidene-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile Traditional Name: 1-(3-chlorophenyl)-3-thioxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile Formula: C16H13ClN2S MolecularWeight: 300.80582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN2S/c17-11-5-3-4-10(8-11)15-13-7-2-1-6-12(13)14(9-18)16(20)19-15/h3-5,8H,1-2,6-7H2,(H,19,20)