2-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxo-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[[2-[4-[(3-chlorophenyl)methyl]-1-piperazinyl]-2-oxoethyl]thio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[[2-[4-(3-chlorobenzyl)piperazino]-2-keto-ethyl]thio]-4,6-dimethyl-nicotinonitrile Formula: C21H23ClN4OS MolecularWeight: 414.95152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(=O)N2CCN(CC2)CC3=CC(=CC=C3)Cl)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC(=O)N2CCN(CC2)CC3=CC(=CC=C3)Cl)C

InChI

InChI=1S/C21H23ClN4OS/c1-15-10-16(2)24-21(19(15)12-23)28-14-20(27)26-8-6-25(7-9-26)13-17-4-3-5-18(22)11-17/h3-5,10-11H,6-9,13-14H2,1-2H3