2-[4-[[3-(3,5-dimethylphenyl)-2-sulfanylidene-imidazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-[[3-(3,5-dimethylphenyl)-2-sulfanylidene-imidazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[[3-(3,5-dimethylphenyl)-2-thioxo-imidazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[[3-(3,5-dimethylphenyl)-2-sulfanylidene-1-imidazolyl]methyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[[3-(3,5-dimethylphenyl)-2-sulfanylideneimidazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[[3-(3,5-dimethylphenyl)-2-thioxo-4-imidazolin-1-yl]methyl]piperazino]isonicotinonitrile Formula: C22H24N6S MolecularWeight: 404.53116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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