N-[[5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]naphthalen-1-amine

Systemtic Name: N-[[5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]naphthalen-1-amine Openeye Name: N-[[5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]naphthalen-1-amine CAS Name: N-[[5-[(4-nitrophenyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]methyl]-1-naphthalenamine IUPAC Name: N-[[5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]naphthalen-1-amine Traditional Name: 1-naphthyl-[[5-[(4-nitrobenzyl)thio]-4-phenyl-1,2,4-triazol-3-yl]methyl]amine Formula: C26H21N5O2S MolecularWeight: 467.54224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])CNC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])CNC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C26H21N5O2S/c32-31(33)22-15-13-19(14-16-22)18-34-26-29-28-25(30(26)21-9-2-1-3-10-21)17-27-24-12-6-8-20-7-4-5-11-23(20)24/h1-16,27H,17-18H2