3-methyl-4-(2-methylphenyl)-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazole

Systemtic Name: 3-methyl-4-(2-methylphenyl)-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazole Openeye Name: 3-methyl-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-4-(o-tolyl)-1,2,4-triazole CAS Name: 3-methyl-4-(2-methylphenyl)-5-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1,2,4-triazole IUPAC Name: 3-methyl-4-(2-methylphenyl)-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazole Traditional Name: 3-methyl-5-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-4-(o-tolyl)-1,2,4-triazole Formula: C17H13F3N4O2S MolecularWeight: 394.37093

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])C

InChI

InChI=1S/C17H13F3N4O2S/c1-10-5-3-4-6-13(10)23-11(2)21-22-16(23)27-15-8-7-12(17(18,19)20)9-14(15)24(25)26/h3-9H,1-2H3