N-[[4-(4-nitrophenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]nonanamide

Systemtic Name: N-[[4-(4-nitrophenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]nonanamide Openeye Name: N-[[5-benzylsulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]nonanamide CAS Name: N-[[4-(4-nitrophenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]methyl]nonanamide IUPAC Name: N-[[5-benzylsulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]nonanamide Traditional Name: N-[[5-(benzylthio)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]pelargonamide Formula: C25H31N5O3S MolecularWeight: 481.61034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)NCC1=NN=C(N1C2=CC=C(C=C2)[N+](=O)[O-])SCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCC(=O)NCC1=NN=C(N1C2=CC=C(C=C2)[N+](=O)[O-])SCC3=CC=CC=C3

InChI

InChI=1S/C25H31N5O3S/c1-2-3-4-5-6-10-13-24(31)26-18-23-27-28-25(34-19-20-11-8-7-9-12-20)29(23)21-14-16-22(17-15-21)30(32)33/h7-9,11-12,14-17H,2-6,10,13,18-19H2,1H3,(H,26,31)