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

Systemtic Name: 2-[4-[[4-(4-methylphenyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[[4-(p-tolyl)-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[[4-(4-methylphenyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[[4-(4-methylphenyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[[4-(p-tolyl)-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazino]isonicotinonitrile Formula: C25H24N8S MolecularWeight: 468.57666

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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=NC=C5

Isomeric SMILES

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

InChI

InChI=1S/C25H24N8S/c1-19-2-4-22(5-3-19)33-24(21-7-9-27-10-8-21)29-32(25(33)34)18-30-12-14-31(15-13-30)23-16-20(17-26)6-11-28-23/h2-11,16H,12-15,18H2,1H3