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

Systemtic Name: N-butyl-5-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentanamide Openeye Name: N-butyl-5-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentanamide CAS Name: N-butyl-5-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]pentanamide IUPAC Name: N-butyl-5-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentanamide Traditional Name: N-butyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4O2S/c1-3-4-17-25-22(29)12-8-9-18-31-24-27-26-23(19-10-6-5-7-11-19)28(24)20-13-15-21(30-2)16-14-20/h5-7,10-11,13-16H,3-4,8-9,12,17-18H2,1-2H3,(H,25,29)