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

Systemtic Name: N-[[5-butan-2-ylsulfanyl-4-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Openeye Name: N-[[4-(3,4-dichlorophenyl)-5-sec-butylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide CAS Name: N-[[5-(butan-2-ylthio)-4-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide IUPAC Name: N-[[5-butan-2-ylsulfanyl-4-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide Traditional Name: N-[[4-(3,4-dichlorophenyl)-5-(sec-butylthio)-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Formula: C21H22Cl2N4O2S MolecularWeight: 465.39598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22Cl2N4O2S/c1-4-13(2)30-21-26-25-19(27(21)15-7-10-17(22)18(23)11-15)12-24-20(28)14-5-8-16(29-3)9-6-14/h5-11,13H,4,12H2,1-3H3,(H,24,28)