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

Systemtic Name: N-[[4-(4-nitrophenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]decanamide Openeye Name: N-[[5-benzylsulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]decanamide CAS Name: N-[[4-(4-nitrophenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]methyl]decanamide IUPAC Name: N-[[5-benzylsulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]decanamide Traditional Name: N-[[5-(benzylthio)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]capramide Formula: C26H33N5O3S MolecularWeight: 495.63692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N5O3S/c1-2-3-4-5-6-7-11-14-25(32)27-19-24-28-29-26(35-20-21-12-9-8-10-13-21)30(24)22-15-17-23(18-16-22)31(33)34/h8-10,12-13,15-18H,2-7,11,14,19-20H2,1H3,(H,27,32)