3-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 3-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-[2-(3-methoxyphenyl)-2-oxo-ethyl]sulfanyl-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-[[2-(3-methoxyphenyl)-2-oxoethyl]thio]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-[[2-keto-2-(3-methoxyphenyl)ethyl]thio]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C25H22N2O2S MolecularWeight: 414.51938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)CSC2=NC(=C3CCCCC3=C2C#N)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)CSC2=NC(=C3CCCCC3=C2C#N)C4=CC=CC=C4

InChI

InChI=1S/C25H22N2O2S/c1-29-19-11-7-10-18(14-19)23(28)16-30-25-22(15-26)20-12-5-6-13-21(20)24(27-25)17-8-3-2-4-9-17/h2-4,7-11,14H,5-6,12-13,16H2,1H3