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

Systemtic Name: 2-[4-[[4-methyl-5-sulfanylidene-3-(thiophen-2-ylmethyl)-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[[4-methyl-3-(2-thienylmethyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[[4-methyl-5-sulfanylidene-3-(thiophen-2-ylmethyl)-1,2,4-triazol-1-yl]methyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[[4-methyl-5-sulfanylidene-3-(thiophen-2-ylmethyl)-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[[4-methyl-3-(2-thenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazino]isonicotinonitrile Formula: C19H21N7S2 MolecularWeight: 411.54694

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)CN2CCN(CC2)C3=NC=CC(=C3)C#N)CC4=CC=CS4

Isomeric SMILES

CN1C(=NN(C1=S)CN2CCN(CC2)C3=NC=CC(=C3)C#N)CC4=CC=CS4

InChI

InChI=1S/C19H21N7S2/c1-23-18(12-16-3-2-10-28-16)22-26(19(23)27)14-24-6-8-25(9-7-24)17-11-15(13-20)4-5-21-17/h2-5,10-11H,6-9,12,14H2,1H3