2-[4-[[5-(4-methylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-[[5-(4-methylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[[5-(p-tolyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[[5-(4-methylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[[5-(4-methylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[[5-(p-tolyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]piperazino]isonicotinonitrile Formula: C20H21N7S MolecularWeight: 391.49264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=S)N(N2)CN3CCN(CC3)C4=NC=CC(=C4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=S)N(N2)CN3CCN(CC3)C4=NC=CC(=C4)C#N

InChI

InChI=1S/C20H21N7S/c1-15-2-4-17(5-3-15)19-23-20(28)27(24-19)14-25-8-10-26(11-9-25)18-12-16(13-21)6-7-22-18/h2-7,12H,8-11,14H2,1H3,(H,23,24,28)