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

Systemtic Name: 2-[4-[[3-(3-chloranyl-2-methyl-phenyl)-2-sulfanylidene-imidazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[[3-(3-chloro-2-methyl-phenyl)-2-thioxo-imidazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[[3-(3-chloro-2-methylphenyl)-2-sulfanylidene-1-imidazolyl]methyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[[3-(3-chloro-2-methylphenyl)-2-sulfanylideneimidazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[[3-(3-chloro-2-methyl-phenyl)-2-thioxo-4-imidazolin-1-yl]methyl]piperazino]isonicotinonitrile Formula: C21H21ClN6S MolecularWeight: 424.94964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C=CN(C2=S)CN3CCN(CC3)C4=NC=CC(=C4)C#N

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C=CN(C2=S)CN3CCN(CC3)C4=NC=CC(=C4)C#N

InChI

InChI=1S/C21H21ClN6S/c1-16-18(22)3-2-4-19(16)28-12-11-27(21(28)29)15-25-7-9-26(10-8-25)20-13-17(14-23)5-6-24-20/h2-6,11-13H,7-10,15H2,1H3