ethyl 4-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)piperidine-1-carboxylate

Systemtic Name: ethyl 4-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)piperidine-1-carboxylate Openeye Name: ethyl 4-(3-cyclopropyl-5-thioxo-1H-1,2,4-triazol-4-yl)piperidine-1-carboxylate CAS Name: 4-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)piperidine-1-carboxylate Traditional Name: 4-(3-cyclopropyl-5-thioxo-1H-1,2,4-triazol-4-yl)piperidine-1-carboxylic acid ethyl ester Formula: C13H20N4O2S MolecularWeight: 296.3885

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2C(=NNC2=S)C3CC3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2C(=NNC2=S)C3CC3

InChI

InChI=1S/C13H20N4O2S/c1-2-19-13(18)16-7-5-10(6-8-16)17-11(9-3-4-9)14-15-12(17)20/h9-10H,2-8H2,1H3,(H,15,20)