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

Systemtic Name: N-(3-methoxypropyl)-5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentanamide Openeye Name: N-(3-methoxypropyl)-5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentanamide CAS Name: N-(3-methoxypropyl)-5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]pentanamide IUPAC Name: N-(3-methoxypropyl)-5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentanamide Traditional Name: N-(3-methoxypropyl)-5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]valeramide Formula: C23H27N5O4S MolecularWeight: 469.55658

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)CCCCSC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COCCCNC(=O)CCCCSC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H27N5O4S/c1-32-16-7-15-24-21(29)10-5-6-17-33-23-26-25-22(27(23)19-8-3-2-4-9-19)18-11-13-20(14-12-18)28(30)31/h2-4,8-9,11-14H,5-7,10,15-17H2,1H3,(H,24,29)