5-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropyl)pentanamide

Systemtic Name: 5-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropyl)pentanamide Openeye Name: N-isobutyl-5-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentanamide CAS Name: 5-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-(2-methylpropyl)pentanamide IUPAC Name: 5-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropyl)pentanamide Traditional Name: N-isobutyl-5-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]valeramide Formula: C24H30N4O2S MolecularWeight: 438.5856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)CCCCSC1=NN=C(N1C2=CC=C(C=C2)OC)C3=CC=CC=C3

Isomeric SMILES

CC(C)CNC(=O)CCCCSC1=NN=C(N1C2=CC=C(C=C2)OC)C3=CC=CC=C3

InChI

InChI=1S/C24H30N4O2S/c1-18(2)17-25-22(29)11-7-8-16-31-24-27-26-23(19-9-5-4-6-10-19)28(24)20-12-14-21(30-3)15-13-20/h4-6,9-10,12-15,18H,7-8,11,16-17H2,1-3H3,(H,25,29)