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

Systemtic Name: N-[[5-butan-2-ylsulfanyl-4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Openeye Name: N-[[4-(2,5-dimethylphenyl)-5-sec-butylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide CAS Name: N-[[5-(butan-2-ylthio)-4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide IUPAC Name: N-[[5-butan-2-ylsulfanyl-4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide Traditional Name: N-[[4-(2,5-dimethylphenyl)-5-(sec-butylthio)-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Formula: C23H28N4O2S MolecularWeight: 424.55902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O2S/c1-6-17(4)30-23-26-25-21(27(23)20-13-15(2)7-8-16(20)3)14-24-22(28)18-9-11-19(29-5)12-10-18/h7-13,17H,6,14H2,1-5H3,(H,24,28)