1-methyl-N-[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]pyrrole-2-carboxamide

Systemtic Name: 1-methyl-N-[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]pyrrole-2-carboxamide Openeye Name: 1-methyl-N-[2-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]pyrrole-2-carboxamide CAS Name: 1-methyl-N-[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-2-pyrrolecarboxamide IUPAC Name: 1-methyl-N-[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]pyrrole-2-carboxamide Traditional Name: 1-methyl-N-[2-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]acetyl]pyrrole-2-carboxamide Formula: C23H21N5O2S MolecularWeight: 431.51014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC(=O)C3=CC=CN3C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC(=O)C3=CC=CN3C)C4=CC=CC=C4

InChI

InChI=1S/C23H21N5O2S/c1-16-10-12-18(13-11-16)28-21(17-7-4-3-5-8-17)25-26-23(28)31-15-20(29)24-22(30)19-9-6-14-27(19)2/h3-14H,15H2,1-2H3,(H,24,29,30)