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

Systemtic Name: 3-[2-(2,4-dichlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-[2-(2,4-dichlorophenyl)-2-oxo-ethyl]sulfanyl-1-(2-thienyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-[[2-(2,4-dichlorophenyl)-2-oxoethyl]thio]-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-[[2-(2,4-dichlorophenyl)-2-keto-ethyl]thio]-1-(2-thienyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C22H16Cl2N2OS2 MolecularWeight: 459.41124

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(N=C(C(=C2C1)C#N)SCC(=O)C3=C(C=C(C=C3)Cl)Cl)C4=CC=CS4

Isomeric SMILES

C1CCC2=C(N=C(C(=C2C1)C#N)SCC(=O)C3=C(C=C(C=C3)Cl)Cl)C4=CC=CS4

InChI

InChI=1S/C22H16Cl2N2OS2/c23-13-7-8-16(18(24)10-13)19(27)12-29-22-17(11-25)14-4-1-2-5-15(14)21(26-22)20-6-3-9-28-20/h3,6-10H,1-2,4-5,12H2