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

Systemtic Name: N-[[5-butan-2-ylsulfanyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Openeye Name: N-[[4-(4-ethoxyphenyl)-5-sec-butylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide CAS Name: N-[[5-(butan-2-ylthio)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide IUPAC Name: N-[[5-butan-2-ylsulfanyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide Traditional Name: 4-methoxy-N-[[4-p-phenetyl-5-(sec-butylthio)-1,2,4-triazol-3-yl]methyl]benzamide Formula: C23H28N4O3S MolecularWeight: 440.55842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O3S/c1-5-16(3)31-23-26-25-21(27(23)18-9-13-20(14-10-18)30-6-2)15-24-22(28)17-7-11-19(29-4)12-8-17/h7-14,16H,5-6,15H2,1-4H3,(H,24,28)