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

Systemtic Name: 1-(phenylmethyl)-3-sulfanylidene-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile Openeye Name: 1-benzyl-3-thioxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile CAS Name: 1-(phenylmethyl)-3-sulfanylidene-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile IUPAC Name: 1-benzyl-3-sulfanylidene-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile Traditional Name: 1-benzyl-3-thioxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile Formula: C17H16N2S MolecularWeight: 280.38734

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C(=S)NC(=C2C1)CC3=CC=CC=C3)C#N

Isomeric SMILES

C1CCC2=C(C(=S)NC(=C2C1)CC3=CC=CC=C3)C#N

InChI

InChI=1S/C17H16N2S/c18-11-15-13-8-4-5-9-14(13)16(19-17(15)20)10-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-10H2,(H,19,20)