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

Systemtic Name: 5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-pentanamide Openeye Name: 5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-pentanamide CAS Name: 5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-phenethylpentanamide IUPAC Name: 5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylpentanamide Traditional Name: 5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-phenethyl-valeramide Formula: C27H27N5O3S MolecularWeight: 501.59998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CCCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CCCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H27N5O3S/c33-25(28-19-18-21-9-3-1-4-10-21)13-7-8-20-36-27-30-29-26(31(27)23-11-5-2-6-12-23)22-14-16-24(17-15-22)32(34)35/h1-6,9-12,14-17H,7-8,13,18-20H2,(H,28,33)