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

Systemtic Name: N-(3-ethanoylphenyl)-2-[[5-(3-methylphenyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(3-acetylphenyl)-2-[[5-(m-tolyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3-acetylphenyl)-2-[[5-(3-methylphenyl)-4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-acetylphenyl)-2-[[5-(3-methylphenyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(3-acetylphenyl)-2-[[5-(m-tolyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]thio]acetamide Formula: C23H21N5O2S MolecularWeight: 431.51014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2N3C=CC=C3)SCC(=O)NC4=CC=CC(=C4)C(=O)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2N3C=CC=C3)SCC(=O)NC4=CC=CC(=C4)C(=O)C

InChI

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