2-[4-[[3-(2,4-dimethylphenyl)-2-sulfanylidene-imidazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-[[3-(2,4-dimethylphenyl)-2-sulfanylidene-imidazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[[3-(2,4-dimethylphenyl)-2-thioxo-imidazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[[3-(2,4-dimethylphenyl)-2-sulfanylidene-1-imidazolyl]methyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[[3-(2,4-dimethylphenyl)-2-sulfanylideneimidazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[[3-(2,4-dimethylphenyl)-2-thioxo-4-imidazolin-1-yl]methyl]piperazino]isonicotinonitrile Formula: C22H24N6S MolecularWeight: 404.53116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C=CN(C2=S)CN3CCN(CC3)C4=NC=CC(=C4)C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=CN(C2=S)CN3CCN(CC3)C4=NC=CC(=C4)C#N)C

InChI

InChI=1S/C22H24N6S/c1-17-3-4-20(18(2)13-17)28-12-11-27(22(28)29)16-25-7-9-26(10-8-25)21-14-19(15-23)5-6-24-21/h3-6,11-14H,7-10,16H2,1-2H3