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

Systemtic Name: N-ethoxy-5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentanamide Openeye Name: N-ethoxy-5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentanamide CAS Name: N-ethoxy-5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]pentanamide IUPAC Name: N-ethoxy-5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentanamide Traditional Name: N-ethoxy-5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]valeramide Formula: C21H23N5O4S MolecularWeight: 441.50342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O4S/c1-2-30-24-19(27)10-6-7-15-31-21-23-22-20(25(21)17-8-4-3-5-9-17)16-11-13-18(14-12-16)26(28)29/h3-5,8-9,11-14H,2,6-7,10,15H2,1H3,(H,24,27)