1-methyl-5-(4-methylphenyl)sulfanyl-3-nitro-1,2,4-triazole

Systemtic Name: 1-methyl-5-(4-methylphenyl)sulfanyl-3-nitro-1,2,4-triazole Openeye Name: 1-methyl-3-nitro-5-(p-tolylsulfanyl)-1,2,4-triazole CAS Name: 1-methyl-5-[(4-methylphenyl)thio]-3-nitro-1,2,4-triazole IUPAC Name: 1-methyl-5-(4-methylphenyl)sulfanyl-3-nitro-1,2,4-triazole Traditional Name: 1-methyl-3-nitro-5-(p-tolylthio)-1,2,4-triazole Formula: C10H10N4O2S MolecularWeight: 250.277

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC(=NN2C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC(=NN2C)[N+](=O)[O-]

InChI

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