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

Systemtic Name: 2-[4-[(3-methyl-4-phenyl-2-sulfanylidene-imidazol-1-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[(3-methyl-4-phenyl-2-thioxo-imidazol-1-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[(3-methyl-4-phenyl-2-sulfanylidene-1-imidazolyl)methyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[(3-methyl-4-phenyl-2-sulfanylideneimidazol-1-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[(3-methyl-4-phenyl-2-thioxo-4-imidazolin-1-yl)methyl]piperazino]isonicotinonitrile Formula: C21H22N6S MolecularWeight: 390.50458

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN(C1=S)CN2CCN(CC2)C3=NC=CC(=C3)C#N)C4=CC=CC=C4

Isomeric SMILES

CN1C(=CN(C1=S)CN2CCN(CC2)C3=NC=CC(=C3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C21H22N6S/c1-24-19(18-5-3-2-4-6-18)15-27(21(24)28)16-25-9-11-26(12-10-25)20-13-17(14-22)7-8-23-20/h2-8,13,15H,9-12,16H2,1H3