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

Systemtic Name: 2-[4-[[4-(4-methylphenyl)-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[[3-phenyl-4-(p-tolyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[[4-(4-methylphenyl)-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[[4-(4-methylphenyl)-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[[3-phenyl-4-(p-tolyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazino]isonicotinonitrile Formula: C26H25N7S MolecularWeight: 467.5886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN(C2=S)CN3CCN(CC3)C4=NC=CC(=C4)C#N)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN(C2=S)CN3CCN(CC3)C4=NC=CC(=C4)C#N)C5=CC=CC=C5

InChI

InChI=1S/C26H25N7S/c1-20-7-9-23(10-8-20)33-25(22-5-3-2-4-6-22)29-32(26(33)34)19-30-13-15-31(16-14-30)24-17-21(18-27)11-12-28-24/h2-12,17H,13-16,19H2,1H3