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

Systemtic Name: 2-[2-[4-(3-methylphenyl)piperazin-1-yl]carbonylphenyl]sulfanylbenzenecarbonitrile Openeye Name: 2-[2-[4-(m-tolyl)piperazine-1-carbonyl]phenyl]sulfanylbenzonitrile CAS Name: 2-[[2-[[4-(3-methylphenyl)-1-piperazinyl]-oxomethyl]phenyl]thio]benzonitrile IUPAC Name: 2-[2-[4-(3-methylphenyl)piperazine-1-carbonyl]phenyl]sulfanylbenzonitrile Traditional Name: 2-[[2-[4-(m-tolyl)piperazine-1-carbonyl]phenyl]thio]benzonitrile Formula: C25H23N3OS MolecularWeight: 413.53462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

InChI

InChI=1S/C25H23N3OS/c1-19-7-6-9-21(17-19)27-13-15-28(16-14-27)25(29)22-10-3-5-12-24(22)30-23-11-4-2-8-20(23)18-26/h2-12,17H,13-16H2,1H3