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

Systemtic Name: N-(4-methoxyphenyl)-2-[[5-(3-methylphenyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-methoxyphenyl)-2-[[5-(m-tolyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-methoxyphenyl)-2-[[5-(3-methylphenyl)-4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-methoxyphenyl)-2-[[5-(3-methylphenyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-methoxyphenyl)-2-[[5-(m-tolyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5O2S/c1-16-6-5-7-17(14-16)21-24-25-22(27(21)26-12-3-4-13-26)30-15-20(28)23-18-8-10-19(29-2)11-9-18/h3-14H,15H2,1-2H3,(H,23,28)