ethyl 2,5-dimethyl-4-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-4-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-4-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]acetyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C14H18N4O3S MolecularWeight: 322.38272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)CSC2=NNC(=N2)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)CSC2=NNC(=N2)C)C)C

InChI

InChI=1S/C14H18N4O3S/c1-5-21-13(20)12-8(3)15-7(2)11(12)10(19)6-22-14-16-9(4)17-18-14/h15H,5-6H2,1-4H3,(H,16,17,18)