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

Systemtic Name: N-butyl-4-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanamide Openeye Name: N-butyl-4-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanamide CAS Name: N-butyl-4-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]butanamide IUPAC Name: N-butyl-4-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanamide Traditional Name: N-butyl-4-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]butyramide Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CCCSC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=O)CCCSC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O3S/c1-2-3-15-23-20(28)10-7-16-31-22-25-24-21(26(22)18-8-5-4-6-9-18)17-11-13-19(14-12-17)27(29)30/h4-6,8-9,11-14H,2-3,7,10,15-16H2,1H3,(H,23,28)