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

Systemtic Name: 5-(4-methylphenyl)-3-[(2-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 3-[(2-nitrophenyl)methylsulfanyl]-5-(p-tolyl)-1H-1,2,4-triazole CAS Name: 5-(4-methylphenyl)-3-[(2-nitrophenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-(4-methylphenyl)-3-[(2-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 3-[(2-nitrobenzyl)thio]-5-(p-tolyl)-1H-1,2,4-triazole Formula: C16H14N4O2S MolecularWeight: 326.37296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O2S/c1-11-6-8-12(9-7-11)15-17-16(19-18-15)23-10-13-4-2-3-5-14(13)20(21)22/h2-9H,10H2,1H3,(H,17,18,19)