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

Systemtic Name: 2-[4-[[4-cyclohexyl-5-sulfanylidene-3-(thiophen-2-ylmethyl)-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[[4-cyclohexyl-3-(2-thienylmethyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[[4-cyclohexyl-5-sulfanylidene-3-(thiophen-2-ylmethyl)-1,2,4-triazol-1-yl]methyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[[4-cyclohexyl-5-sulfanylidene-3-(thiophen-2-ylmethyl)-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[[4-cyclohexyl-3-(2-thenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazino]isonicotinonitrile Formula: C24H29N7S2 MolecularWeight: 479.66396

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN(C2=S)CN3CCN(CC3)C4=NC=CC(=C4)C#N)CC5=CC=CS5

Isomeric SMILES

C1CCC(CC1)N2C(=NN(C2=S)CN3CCN(CC3)C4=NC=CC(=C4)C#N)CC5=CC=CS5

InChI

InChI=1S/C24H29N7S2/c25-17-19-8-9-26-22(15-19)29-12-10-28(11-13-29)18-30-24(32)31(20-5-2-1-3-6-20)23(27-30)16-21-7-4-14-33-21/h4,7-9,14-15,20H,1-3,5-6,10-13,16,18H2