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

Systemtic Name: 3-[2-oxidanylidene-2-(2-oxidanylidenechromen-3-yl)ethyl]sulfanyl-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-[[2-oxo-2-(2-oxo-1-benzopyran-3-yl)ethyl]thio]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-[[2-keto-2-(2-ketochromen-3-yl)ethyl]thio]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C27H20N2O3S MolecularWeight: 452.5243

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(N=C(C(=C2C1)C#N)SCC(=O)C3=CC4=CC=CC=C4OC3=O)C5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(N=C(C(=C2C1)C#N)SCC(=O)C3=CC4=CC=CC=C4OC3=O)C5=CC=CC=C5

InChI

InChI=1S/C27H20N2O3S/c28-15-22-19-11-5-6-12-20(19)25(17-8-2-1-3-9-17)29-26(22)33-16-23(30)21-14-18-10-4-7-13-24(18)32-27(21)31/h1-4,7-10,13-14H,5-6,11-12,16H2