4-methyl-3-[(4-nitrophenyl)methylsulfanyl]-5-(phenylmethyl)-1,2,4-triazole

Systemtic Name: 4-methyl-3-[(4-nitrophenyl)methylsulfanyl]-5-(phenylmethyl)-1,2,4-triazole Openeye Name: 3-benzyl-4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-methyl-3-[(4-nitrophenyl)methylthio]-5-(phenylmethyl)-1,2,4-triazole IUPAC Name: 3-benzyl-4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-benzyl-4-methyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazole Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C17H16N4O2S/c1-20-16(11-13-5-3-2-4-6-13)18-19-17(20)24-12-14-7-9-15(10-8-14)21(22)23/h2-10H,11-12H2,1H3