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

Systemtic Name: N-(3-methylbutyl)-5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentanamide Openeye Name: N-isopentyl-5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentanamide CAS Name: N-(3-methylbutyl)-5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]pentanamide IUPAC Name: N-(3-methylbutyl)-5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentanamide Traditional Name: N-isoamyl-5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]valeramide Formula: C24H29N5O3S MolecularWeight: 467.58376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N5O3S/c1-18(2)15-16-25-22(30)10-6-7-17-33-24-27-26-23(28(24)20-8-4-3-5-9-20)19-11-13-21(14-12-19)29(31)32/h3-5,8-9,11-14,18H,6-7,10,15-17H2,1-2H3,(H,25,30)