6-cyclopropyl-4-[4-(3-methylphenyl)piperazin-1-yl]carbonyl-2-methylsulfanyl-pyridine-3-carbonitrile

Systemtic Name: 6-cyclopropyl-4-[4-(3-methylphenyl)piperazin-1-yl]carbonyl-2-methylsulfanyl-pyridine-3-carbonitrile Openeye Name: 6-cyclopropyl-2-methylsulfanyl-4-[4-(m-tolyl)piperazine-1-carbonyl]pyridine-3-carbonitrile CAS Name: 6-cyclopropyl-4-[[4-(3-methylphenyl)-1-piperazinyl]-oxomethyl]-2-(methylthio)-3-pyridinecarbonitrile IUPAC Name: 6-cyclopropyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]-2-methylsulfanylpyridine-3-carbonitrile Traditional Name: 6-cyclopropyl-2-(methylthio)-4-[4-(m-tolyl)piperazine-1-carbonyl]nicotinonitrile Formula: C22H24N4OS MolecularWeight: 392.51716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C3=CC(=NC(=C3C#N)SC)C4CC4

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C3=CC(=NC(=C3C#N)SC)C4CC4

InChI

InChI=1S/C22H24N4OS/c1-15-4-3-5-17(12-15)25-8-10-26(11-9-25)22(27)18-13-20(16-6-7-16)24-21(28-2)19(18)14-23/h3-5,12-13,16H,6-11H2,1-2H3