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

Systemtic Name: ethyl 5-[2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=NN=CN2C3=CC=C(C=C3)OC)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=NN=CN2C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C20H22N4O4S/c1-5-28-19(26)17-12(2)18(22-13(17)3)16(25)10-29-20-23-21-11-24(20)14-6-8-15(27-4)9-7-14/h6-9,11,22H,5,10H2,1-4H3