4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinoline-3-thiolate

Systemtic Name: 4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinoline-3-thiolate Openeye Name: 4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinoline-3-thiolate CAS Name: 4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinoline-3-thiolate IUPAC Name: 4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinoline-3-thiolate Traditional Name: 4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinoline-3-thiolate Formula: C16H13N2S- MolecularWeight: 265.35282

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(N=C(C(=C2C1)C#N)[S-])C3=CC=CC=C3

Isomeric SMILES

C1CCC2=C(N=C(C(=C2C1)C#N)[S-])C3=CC=CC=C3

InChI

InChI=1S/C16H14N2S/c17-10-14-12-8-4-5-9-13(12)15(18-16(14)19)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-9H2,(H,18,19)/p-1