1-[[4-cyclohexyl-5-sulfanylidene-3-(thiophen-2-ylmethyl)-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxamide

Systemtic Name: 1-[[4-cyclohexyl-5-sulfanylidene-3-(thiophen-2-ylmethyl)-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxamide Openeye Name: 1-[[4-cyclohexyl-3-(2-thienylmethyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxamide CAS Name: 1-[[4-cyclohexyl-5-sulfanylidene-3-(thiophen-2-ylmethyl)-1,2,4-triazol-1-yl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-[[4-cyclohexyl-5-sulfanylidene-3-(thiophen-2-ylmethyl)-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxamide Traditional Name: 1-[[4-cyclohexyl-3-(2-thenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]isonipecotamide Formula: C20H29N5OS2 MolecularWeight: 419.60716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN(C2=S)CN3CCC(CC3)C(=O)N)CC4=CC=CS4

Isomeric SMILES

C1CCC(CC1)N2C(=NN(C2=S)CN3CCC(CC3)C(=O)N)CC4=CC=CS4

InChI

InChI=1S/C20H29N5OS2/c21-19(26)15-8-10-23(11-9-15)14-24-20(27)25(16-5-2-1-3-6-16)18(22-24)13-17-7-4-12-28-17/h4,7,12,15-16H,1-3,5-6,8-11,13-14H2,(H2,21,26)