ethyl 2,4-dimethyl-5-(1H-1,2,4-triazol-5-ylsulfanylcarbonylamino)-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-(1H-1,2,4-triazol-5-ylsulfanylcarbonylamino)-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-(1H-1,2,4-triazol-5-ylsulfanylcarbonylamino)-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[[oxo-(1H-1,2,4-triazol-5-ylthio)methyl]amino]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-(1H-1,2,4-triazol-5-ylsulfanylcarbonylamino)-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[(1H-1,2,4-triazol-5-ylthio)carbonylamino]-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)NC(=O)SC2=NC=NN2)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)NC(=O)SC2=NC=NN2)C

InChI

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