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

Systemtic Name: methyl 2,4-dimethyl-5-[2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[1-oxo-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]ethyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C22H20N4O3S2 MolecularWeight: 452.5492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C22H20N4O3S2/c1-13-18(21(28)29-3)14(2)23-19(13)16(27)12-31-22-25-24-20(17-10-7-11-30-17)26(22)15-8-5-4-6-9-15/h4-11,23H,12H2,1-3H3