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

Systemtic Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-(1,2,4-triazol-4-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-(1,2,4-triazol-4-ylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-4-methyl-2-[[sulfanylidene-(1,2,4-triazol-4-ylamino)methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-(1,2,4-triazol-4-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-4-methyl-2-(1,2,4-triazol-4-ylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C13H16N6O3S2 MolecularWeight: 368.43454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N6O3S2/c1-7-8(12(21)22-4)10(24-9(7)11(20)18(2)3)16-13(23)17-19-5-14-15-6-19/h5-6H,1-4H3,(H2,16,17,23)