N-[[5-butan-2-ylsulfanyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide

Systemtic Name: N-[[5-butan-2-ylsulfanyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Openeye Name: 4-methoxy-N-[[4-(m-tolyl)-5-sec-butylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: N-[[5-(butan-2-ylthio)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide IUPAC Name: N-[[5-butan-2-ylsulfanyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide Traditional Name: 4-methoxy-N-[[4-(m-tolyl)-5-(sec-butylthio)-1,2,4-triazol-3-yl]methyl]benzamide Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NN=C(N1C2=CC=CC(=C2)C)CNC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCC(C)SC1=NN=C(N1C2=CC=CC(=C2)C)CNC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H26N4O2S/c1-5-16(3)29-22-25-24-20(26(22)18-8-6-7-15(2)13-18)14-23-21(27)17-9-11-19(28-4)12-10-17/h6-13,16H,5,14H2,1-4H3,(H,23,27)