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

Systemtic Name: 1-methyl-N-[2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]pyrrole-2-carboxamide Openeye Name: 1-methyl-N-[2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]pyrrole-2-carboxamide CAS Name: 1-methyl-N-[2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-2-pyrrolecarboxamide IUPAC Name: 1-methyl-N-[2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]pyrrole-2-carboxamide Traditional Name: 1-methyl-N-[2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]thio]acetyl]pyrrole-2-carboxamide Formula: C17H17N5O2S MolecularWeight: 355.41418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NC(=O)C3=CC=CN3C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NC(=O)C3=CC=CN3C

InChI

InChI=1S/C17H17N5O2S/c1-11-5-7-12(8-6-11)15-19-17(21-20-15)25-10-14(23)18-16(24)13-4-3-9-22(13)2/h3-9H,10H2,1-2H3,(H,18,23,24)(H,19,20,21)