2-[2-[4-(2-chlorophenyl)piperazin-1-yl]carbonylphenyl]sulfanylbenzenecarbonitrile

Systemtic Name: 2-[2-[4-(2-chlorophenyl)piperazin-1-yl]carbonylphenyl]sulfanylbenzenecarbonitrile Openeye Name: 2-[2-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]sulfanylbenzonitrile CAS Name: 2-[[2-[[4-(2-chlorophenyl)-1-piperazinyl]-oxomethyl]phenyl]thio]benzonitrile IUPAC Name: 2-[2-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]sulfanylbenzonitrile Traditional Name: 2-[[2-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]thio]benzonitrile Formula: C24H20ClN3OS MolecularWeight: 433.9531

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2Cl)C(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2Cl)C(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

InChI

InChI=1S/C24H20ClN3OS/c25-20-9-3-4-10-21(20)27-13-15-28(16-14-27)24(29)19-8-2-6-12-23(19)30-22-11-5-1-7-18(22)17-26/h1-12H,13-16H2