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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CSC2=NN=CN2C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CSC2=NN=CN2C)C

InChI

InChI=1S/C14H18N4O3S/c1-5-21-13(20)12-8(2)11(9(3)16-12)10(19)6-22-14-17-15-7-18(14)4/h7,16H,5-6H2,1-4H3