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

Systemtic Name: 4-[[4-cyclohexyl-5-sulfanylidene-3-(thiophen-2-ylmethyl)-1,2,4-triazol-1-yl]methyl]-N,N-dimethyl-piperazine-1-carboxamide Openeye Name: 4-[[4-cyclohexyl-3-(2-thienylmethyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-N,N-dimethyl-piperazine-1-carboxamide CAS Name: 4-[[4-cyclohexyl-5-sulfanylidene-3-(thiophen-2-ylmethyl)-1,2,4-triazol-1-yl]methyl]-N,N-dimethyl-1-piperazinecarboxamide IUPAC Name: 4-[[4-cyclohexyl-5-sulfanylidene-3-(thiophen-2-ylmethyl)-1,2,4-triazol-1-yl]methyl]-N,N-dimethylpiperazine-1-carboxamide Traditional Name: 4-[[4-cyclohexyl-3-(2-thenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-N,N-dimethyl-piperazine-1-carboxamide Formula: C21H32N6OS2 MolecularWeight: 448.64838

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)N1CCN(CC1)CN2C(=S)N(C(=N2)CC3=CC=CS3)C4CCCCC4

Isomeric SMILES

CN(C)C(=O)N1CCN(CC1)CN2C(=S)N(C(=N2)CC3=CC=CS3)C4CCCCC4

InChI

InChI=1S/C21H32N6OS2/c1-23(2)20(28)25-12-10-24(11-13-25)16-26-21(29)27(17-7-4-3-5-8-17)19(22-26)15-18-9-6-14-30-18/h6,9,14,17H,3-5,7-8,10-13,15-16H2,1-2H3