2-[2-[4-(3-chlorophenyl)piperazin-1-yl]carbonylphenyl]sulfanylbenzenecarbonitrile

Systemtic Name: 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]carbonylphenyl]sulfanylbenzenecarbonitrile Openeye Name: 2-[2-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]sulfanylbenzonitrile CAS Name: 2-[[2-[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]phenyl]thio]benzonitrile IUPAC Name: 2-[2-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]sulfanylbenzonitrile Traditional Name: 2-[[2-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]thio]benzonitrile Formula: C24H20ClN3OS MolecularWeight: 433.9531

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

InChI

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