3-(2-oxidanylidene-3-phenyl-propyl)sulfanyl-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 3-(2-oxidanylidene-3-phenyl-propyl)sulfanyl-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-(2-oxo-3-phenyl-propyl)sulfanyl-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-[(2-oxo-3-phenylpropyl)thio]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-(2-oxo-3-phenylpropyl)sulfanyl-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-[(2-keto-3-phenyl-propyl)thio]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C25H22N2OS MolecularWeight: 398.51998

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(N=C(C(=C2C1)C#N)SCC(=O)CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(N=C(C(=C2C1)C#N)SCC(=O)CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H22N2OS/c26-16-23-21-13-7-8-14-22(21)24(19-11-5-2-6-12-19)27-25(23)29-17-20(28)15-18-9-3-1-4-10-18/h1-6,9-12H,7-8,13-15,17H2