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

Systemtic Name: diethyl 3-methyl-5-(1,2,4-triazol-4-ylcarbamothioylamino)thiophene-2,4-dicarboxylate Openeye Name: diethyl 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 diethyl ester IUPAC Name: diethyl 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 diethyl ester Formula: C14H17N5O4S2 MolecularWeight: 383.44588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NN2C=NN=C2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NN2C=NN=C2

InChI

InChI=1S/C14H17N5O4S2/c1-4-22-12(20)9-8(3)10(13(21)23-5-2)25-11(9)17-14(24)18-19-6-15-16-7-19/h6-7H,4-5H2,1-3H3,(H2,17,18,24)