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

Systemtic Name: ethyl 4-[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C16H20N4O3S MolecularWeight: 348.42

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CSC2=NN=CN2C3CC3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CSC2=NN=CN2C3CC3)C

InChI

InChI=1S/C16H20N4O3S/c1-4-23-15(22)14-9(2)13(10(3)18-14)12(21)7-24-16-19-17-8-20(16)11-5-6-11/h8,11,18H,4-7H2,1-3H3