1-(2-chlorophenyl)-3-[(7-methyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 1-(2-chlorophenyl)-3-[(7-methyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 1-(2-chlorophenyl)-3-[(7-methyl-2-oxo-chromen-4-yl)methylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 1-(2-chlorophenyl)-3-[(7-methyl-2-oxo-1-benzopyran-4-yl)methylthio]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 1-(2-chlorophenyl)-3-[(7-methyl-2-oxochromen-4-yl)methylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 1-(2-chlorophenyl)-3-[(2-keto-7-methyl-chromen-4-yl)methylthio]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C27H21ClN2O2S MolecularWeight: 472.98584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC(=C4CCCCC4=C3C#N)C5=CC=CC=C5Cl

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC(=C4CCCCC4=C3C#N)C5=CC=CC=C5Cl

InChI

InChI=1S/C27H21ClN2O2S/c1-16-10-11-18-17(13-25(31)32-24(18)12-16)15-33-27-22(14-29)19-6-2-3-7-20(19)26(30-27)21-8-4-5-9-23(21)28/h4-5,8-13H,2-3,6-7,15H2,1H3