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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2C)SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2C)SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O2S/c1-12-4-3-5-14(10-12)16-18-19-17(20(16)2)24-11-13-6-8-15(9-7-13)21(22)23/h3-10H,11H2,1-2H3