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

Systemtic Name: 3-[2-(2,4-dichlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-[2-(2,4-dichlorophenyl)-2-oxo-ethyl]sulfanyl-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-[[2-(2,4-dichlorophenyl)-2-oxoethyl]thio]-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-[[2-(2,4-dichlorophenyl)-2-keto-ethyl]thio]-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C19H16Cl2N2OS MolecularWeight: 391.31414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCCCC2=C(C(=N1)SCC(=O)C3=C(C=C(C=C3)Cl)Cl)C#N

Isomeric SMILES

CC1=C2CCCCC2=C(C(=N1)SCC(=O)C3=C(C=C(C=C3)Cl)Cl)C#N

InChI

InChI=1S/C19H16Cl2N2OS/c1-11-13-4-2-3-5-14(13)16(9-22)19(23-11)25-10-18(24)15-7-6-12(20)8-17(15)21/h6-8H,2-5,10H2,1H3