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

Systemtic Name: 3-[2-(3,4-dichlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-[2-(3,4-dichlorophenyl)-2-oxo-ethyl]sulfanyl-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-[[2-(3,4-dichlorophenyl)-2-oxoethyl]thio]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-[[2-(3,4-dichlorophenyl)-2-keto-ethyl]thio]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C24H18Cl2N2OS MolecularWeight: 453.38352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H18Cl2N2OS/c25-20-11-10-16(12-21(20)26)22(29)14-30-24-19(13-27)17-8-4-5-9-18(17)23(28-24)15-6-2-1-3-7-15/h1-3,6-7,10-12H,4-5,8-9,14H2