4-methyl-3-(3-nitrophenyl)-5-phenethylsulfanyl-1,2,4-triazole

Systemtic Name: 4-methyl-3-(3-nitrophenyl)-5-phenethylsulfanyl-1,2,4-triazole Openeye Name: 4-methyl-3-(3-nitrophenyl)-5-phenethylsulfanyl-1,2,4-triazole CAS Name: 4-methyl-3-(3-nitrophenyl)-5-(phenethylthio)-1,2,4-triazole IUPAC Name: 4-methyl-3-(3-nitrophenyl)-5-phenethylsulfanyl-1,2,4-triazole Traditional Name: 4-methyl-3-(3-nitrophenyl)-5-(phenethylthio)-1,2,4-triazole Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C(=NN=C1SCCC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

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