2-[(3-chlorophenyl)methylsulfanyl]-4-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-N-(1H-1,2,4-triazol-5-yl)butanamide

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-4-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-N-(1H-1,2,4-triazol-5-yl)butanamide Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-4-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-N-(1H-1,2,4-triazol-5-yl)butanamide CAS Name: 2-[(3-chlorophenyl)methylthio]-4-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-N-(1H-1,2,4-triazol-5-yl)butanamide IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-4-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-N-(1H-1,2,4-triazol-5-yl)butanamide Traditional Name: 2-[(3-chlorobenzyl)thio]-4-(3-methoxyphenyl)-N-o-anisyl-N-(1H-1,2,4-triazol-5-yl)butyramide Formula: C28H29ClN4O3S MolecularWeight: 537.07286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CCC(C(=O)N(CC2=CC=CC=C2OC)C3=NC=NN3)SCC4=CC(=CC=C4)Cl

Isomeric SMILES

COC1=CC=CC(=C1)CCC(C(=O)N(CC2=CC=CC=C2OC)C3=NC=NN3)SCC4=CC(=CC=C4)Cl

InChI

InChI=1S/C28H29ClN4O3S/c1-35-24-11-6-7-20(16-24)13-14-26(37-18-21-8-5-10-23(29)15-21)27(34)33(28-30-19-31-32-28)17-22-9-3-4-12-25(22)36-2/h3-12,15-16,19,26H,13-14,17-18H2,1-2H3,(H,30,31,32)