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

Systemtic Name: 3-[2-(3,4-dichlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-[2-(3,4-dichlorophenyl)-2-oxo-ethyl]sulfanyl-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-[[2-(3,4-dichlorophenyl)-2-oxoethyl]thio]-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-[[2-(3,4-dichlorophenyl)-2-keto-ethyl]thio]-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C20H18Cl2N2OS MolecularWeight: 405.34072

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2CCCCC2=C(C(=N1)SCC(=O)C3=CC(=C(C=C3)Cl)Cl)C#N

Isomeric SMILES

CCC1=C2CCCCC2=C(C(=N1)SCC(=O)C3=CC(=C(C=C3)Cl)Cl)C#N

InChI

InChI=1S/C20H18Cl2N2OS/c1-2-18-14-6-4-3-5-13(14)15(10-23)20(24-18)26-11-19(25)12-7-8-16(21)17(22)9-12/h7-9H,2-6,11H2,1H3