ethyl 2,4-dimethyl-5-[(5-sulfanylidene-1H-1,2,4-triazol-4-yl)carbamoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[(5-sulfanylidene-1H-1,2,4-triazol-4-yl)carbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[(5-thioxo-1H-1,2,4-triazol-4-yl)carbamoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[oxo-[(5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[(5-sulfanylidene-1H-1,2,4-triazol-4-yl)carbamoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[(5-thioxo-1H-1,2,4-triazol-4-yl)carbamoyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C12H15N5O3S MolecularWeight: 309.3442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)NN2C=NNC2=S)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)NN2C=NNC2=S)C

InChI

InChI=1S/C12H15N5O3S/c1-4-20-11(19)8-6(2)9(14-7(8)3)10(18)16-17-5-13-15-12(17)21/h5,14H,4H2,1-3H3,(H,15,21)(H,16,18)