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

Systemtic Name: 3-[(4-methylphenyl)methylsulfanyl]-5-(2-nitrophenyl)-1H-1,2,4-triazole Openeye Name: 5-(2-nitrophenyl)-3-(p-tolylmethylsulfanyl)-1H-1,2,4-triazole CAS Name: 3-[(4-methylphenyl)methylthio]-5-(2-nitrophenyl)-1H-1,2,4-triazole IUPAC Name: 3-[(4-methylphenyl)methylsulfanyl]-5-(2-nitrophenyl)-1H-1,2,4-triazole Traditional Name: 3-[(4-methylbenzyl)thio]-5-(2-nitrophenyl)-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)CSC2=NNC(=N2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NNC(=N2)C3=CC=CC=C3[N+](=O)[O-]

InChI

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