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

Systemtic Name: N-cyclopropyl-5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentanamide Openeye Name: N-cyclopropyl-5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentanamide CAS Name: N-cyclopropyl-5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]pentanamide IUPAC Name: N-cyclopropyl-5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentanamide Traditional Name: N-cyclopropyl-5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]valeramide Formula: C22H23N5O3S MolecularWeight: 437.51472

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)CCCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC(=O)CCCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O3S/c28-20(23-17-11-12-17)8-4-5-15-31-22-25-24-21(26(22)18-6-2-1-3-7-18)16-9-13-19(14-10-16)27(29)30/h1-3,6-7,9-10,13-14,17H,4-5,8,11-12,15H2,(H,23,28)