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

Systemtic Name: N-[1-[4-(4-nitrophenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]decanamide Openeye Name: N-[1-[5-benzylsulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]decanamide CAS Name: N-[1-[4-(4-nitrophenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]-2-phenylethyl]decanamide IUPAC Name: N-[1-[5-benzylsulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-phenylethyl]decanamide Traditional Name: N-[1-[5-(benzylthio)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]capramide Formula: C33H39N5O3S MolecularWeight: 585.75946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)NC(CC1=CC=CC=C1)C2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])SCC4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCC(=O)NC(CC1=CC=CC=C1)C2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])SCC4=CC=CC=C4

InChI

InChI=1S/C33H39N5O3S/c1-2-3-4-5-6-7-14-19-31(39)34-30(24-26-15-10-8-11-16-26)32-35-36-33(42-25-27-17-12-9-13-18-27)37(32)28-20-22-29(23-21-28)38(40)41/h8-13,15-18,20-23,30H,2-7,14,19,24-25H2,1H3,(H,34,39)