5-(4-methylphenyl)-3-[1-(3-nitrophenyl)ethylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-(4-methylphenyl)-3-[1-(3-nitrophenyl)ethylsulfanyl]-1H-1,2,4-triazole Openeye Name: 3-[1-(3-nitrophenyl)ethylsulfanyl]-5-(p-tolyl)-1H-1,2,4-triazole CAS Name: 5-(4-methylphenyl)-3-[1-(3-nitrophenyl)ethylthio]-1H-1,2,4-triazole IUPAC Name: 5-(4-methylphenyl)-3-[1-(3-nitrophenyl)ethylsulfanyl]-1H-1,2,4-triazole Traditional Name: 3-[1-(3-nitrophenyl)ethylthio]-5-(p-tolyl)-1H-1,2,4-triazole Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)SC(C)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)SC(C)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O2S/c1-11-6-8-13(9-7-11)16-18-17(20-19-16)24-12(2)14-4-3-5-15(10-14)21(22)23/h3-10,12H,1-2H3,(H,18,19,20)