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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3

InChI

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