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

Systemtic Name: 1-methyl-5-methylsulfanyl-3-(4-nitrophenyl)-1,2,4-triazole Openeye Name: 1-methyl-5-methylsulfanyl-3-(4-nitrophenyl)-1,2,4-triazole CAS Name: 1-methyl-5-(methylthio)-3-(4-nitrophenyl)-1,2,4-triazole IUPAC Name: 1-methyl-5-methylsulfanyl-3-(4-nitrophenyl)-1,2,4-triazole Traditional Name: 1-methyl-5-(methylthio)-3-(4-nitrophenyl)-1,2,4-triazole Formula: C10H10N4O2S MolecularWeight: 250.277

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=N1)C2=CC=C(C=C2)[N+](=O)[O-])SC

Isomeric SMILES

CN1C(=NC(=N1)C2=CC=C(C=C2)[N+](=O)[O-])SC

InChI

InChI=1S/C10H10N4O2S/c1-13-10(17-2)11-9(12-13)7-3-5-8(6-4-7)14(15)16/h3-6H,1-2H3