methyl 4,5-dimethyl-2-(1,2,4-triazol-4-ylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4,5-dimethyl-2-(1,2,4-triazol-4-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-(1,2,4-triazol-4-ylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[sulfanylidene-(1,2,4-triazol-4-ylamino)methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-(1,2,4-triazol-4-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-(1,2,4-triazol-4-ylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C11H13N5O2S2 MolecularWeight: 311.38322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NN2C=NN=C2)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NN2C=NN=C2)C

InChI

InChI=1S/C11H13N5O2S2/c1-6-7(2)20-9(8(6)10(17)18-3)14-11(19)15-16-4-12-13-5-16/h4-5H,1-3H3,(H2,14,15,19)