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

Systemtic Name: N-cyclohexyl-5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentanamide Openeye Name: N-cyclohexyl-5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentanamide CAS Name: N-cyclohexyl-5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]pentanamide IUPAC Name: N-cyclohexyl-5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentanamide Traditional Name: N-cyclohexyl-5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]valeramide Formula: C25H29N5O3S MolecularWeight: 479.59446

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CCCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)NC(=O)CCCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H29N5O3S/c31-23(26-20-9-3-1-4-10-20)13-7-8-18-34-25-28-27-24(29(25)21-11-5-2-6-12-21)19-14-16-22(17-15-19)30(32)33/h2,5-6,11-12,14-17,20H,1,3-4,7-10,13,18H2,(H,26,31)