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

Systemtic Name: 2-[4-[[4-cyclohexyl-3-(4-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[[4-cyclohexyl-3-(4-methoxyphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[[4-cyclohexyl-3-(4-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[[4-cyclohexyl-3-(4-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[[4-cyclohexyl-3-(4-methoxyphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazino]isonicotinonitrile Formula: C26H31N7OS MolecularWeight: 489.63564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=S)N2C3CCCCC3)CN4CCN(CC4)C5=NC=CC(=C5)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=S)N2C3CCCCC3)CN4CCN(CC4)C5=NC=CC(=C5)C#N

InChI

InChI=1S/C26H31N7OS/c1-34-23-9-7-21(8-10-23)25-29-32(26(35)33(25)22-5-3-2-4-6-22)19-30-13-15-31(16-14-30)24-17-20(18-27)11-12-28-24/h7-12,17,22H,2-6,13-16,19H2,1H3