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

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-4-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-N-(1H-1,2,4-triazol-5-yl)butanamide Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-4-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-N-(1H-1,2,4-triazol-5-yl)butanamide CAS Name: 2-[(3-chlorophenyl)methylthio]-4-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-N-(1H-1,2,4-triazol-5-yl)butanamide IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-4-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-N-(1H-1,2,4-triazol-5-yl)butanamide Traditional Name: 2-[(3-chlorobenzyl)thio]-4-(3-methoxyphenyl)-N-p-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=C(C=C1)CN(C2=NC=NN2)C(=O)C(CCC3=CC(=CC=C3)OC)SCC4=CC(=CC=C4)Cl

Isomeric SMILES

COC1=CC=C(C=C1)CN(C2=NC=NN2)C(=O)C(CCC3=CC(=CC=C3)OC)SCC4=CC(=CC=C4)Cl

InChI

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