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

Systemtic Name: N-[[5-butan-2-ylsulfanyl-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Openeye Name: 4-methoxy-N-[[4-(2-methoxyphenyl)-5-sec-butylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: N-[[5-(butan-2-ylthio)-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide IUPAC Name: N-[[5-butan-2-ylsulfanyl-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide Traditional Name: 4-methoxy-N-[[4-(2-methoxyphenyl)-5-(sec-butylthio)-1,2,4-triazol-3-yl]methyl]benzamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NN=C(N1C2=CC=CC=C2OC)CNC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCC(C)SC1=NN=C(N1C2=CC=CC=C2OC)CNC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H26N4O3S/c1-5-15(2)30-22-25-24-20(26(22)18-8-6-7-9-19(18)29-4)14-23-21(27)16-10-12-17(28-3)13-11-16/h6-13,15H,5,14H2,1-4H3,(H,23,27)