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

Systemtic Name: N-[[4-(3,4-dichlorophenyl)-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Openeye Name: N-[[4-(3,4-dichlorophenyl)-5-isopropylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide CAS Name: N-[[4-(3,4-dichlorophenyl)-5-(propan-2-ylthio)-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide IUPAC Name: N-[[4-(3,4-dichlorophenyl)-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide Traditional Name: N-[[4-(3,4-dichlorophenyl)-5-(isopropylthio)-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Formula: C20H20Cl2N4O2S MolecularWeight: 451.3694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20Cl2N4O2S/c1-12(2)29-20-25-24-18(26(20)14-6-9-16(21)17(22)10-14)11-23-19(27)13-4-7-15(28-3)8-5-13/h4-10,12H,11H2,1-3H3,(H,23,27)