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

Systemtic Name: methyl 2,4-dimethyl-5-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C13H16N4O3S MolecularWeight: 308.35614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)CSC2=NN=CN2C

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)CSC2=NN=CN2C

InChI

InChI=1S/C13H16N4O3S/c1-7-10(12(19)20-4)8(2)15-11(7)9(18)5-21-13-16-14-6-17(13)3/h6,15H,5H2,1-4H3