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

Systemtic Name: dimethyl 3-methyl-5-(1,2,4-triazol-4-ylcarbamothioylamino)thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-(1,2,4-triazol-4-ylcarbamothioylamino)thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[sulfanylidene-(1,2,4-triazol-4-ylamino)methyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-(1,2,4-triazol-4-ylcarbamothioylamino)thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-(1,2,4-triazol-4-ylthiocarbamoylamino)thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C12H13N5O4S2 MolecularWeight: 355.39272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N5O4S2/c1-6-7(10(18)20-2)9(23-8(6)11(19)21-3)15-12(22)16-17-4-13-14-5-17/h4-5H,1-3H3,(H2,15,16,22)