N-methyl-2-[[5-(4-methylphenyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide

Systemtic Name: N-methyl-2-[[5-(4-methylphenyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: N-methyl-N-phenyl-2-[[5-(p-tolyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-methyl-2-[[5-(4-methylphenyl)-4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: N-methyl-2-[[5-(4-methylphenyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: N-methyl-N-phenyl-2-[[5-(p-tolyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H21N5OS MolecularWeight: 403.50004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2N3C=CC=C3)SCC(=O)N(C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2N3C=CC=C3)SCC(=O)N(C)C4=CC=CC=C4

InChI

InChI=1S/C22H21N5OS/c1-17-10-12-18(13-11-17)21-23-24-22(27(21)26-14-6-7-15-26)29-16-20(28)25(2)19-8-4-3-5-9-19/h3-15H,16H2,1-2H3