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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NN2C=NN=C2)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NN2C=NN=C2)C(=O)OC

InChI

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