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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1N2C=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

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