3-[(3,4-dichlorophenyl)methylsulfanyl]-1-phenethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 3-[(3,4-dichlorophenyl)methylsulfanyl]-1-phenethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-[(3,4-dichlorophenyl)methylsulfanyl]-1-phenethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-[(3,4-dichlorophenyl)methylthio]-1-phenethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-[(3,4-dichlorophenyl)methylsulfanyl]-1-phenethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-[(3,4-dichlorobenzyl)thio]-1-phenethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C25H22Cl2N2S MolecularWeight: 453.42658

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C(=NC(=C2C1)CCC3=CC=CC=C3)SCC4=CC(=C(C=C4)Cl)Cl)C#N

Isomeric SMILES

C1CCC2=C(C(=NC(=C2C1)CCC3=CC=CC=C3)SCC4=CC(=C(C=C4)Cl)Cl)C#N

InChI

InChI=1S/C25H22Cl2N2S/c26-22-12-10-18(14-23(22)27)16-30-25-21(15-28)19-8-4-5-9-20(19)24(29-25)13-11-17-6-2-1-3-7-17/h1-3,6-7,10,12,14H,4-5,8-9,11,13,16H2