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

Systemtic Name: 3-(2-chloranyl-4-nitro-phenyl)sulfanyl-5-methyl-4-(2-methylphenyl)-1,2,4-triazole Openeye Name: 3-(2-chloro-4-nitro-phenyl)sulfanyl-5-methyl-4-(o-tolyl)-1,2,4-triazole CAS Name: 3-[(2-chloro-4-nitrophenyl)thio]-5-methyl-4-(2-methylphenyl)-1,2,4-triazole IUPAC Name: 3-(2-chloro-4-nitrophenyl)sulfanyl-5-methyl-4-(2-methylphenyl)-1,2,4-triazole Traditional Name: 3-[(2-chloro-4-nitro-phenyl)thio]-5-methyl-4-(o-tolyl)-1,2,4-triazole Formula: C16H13ClN4O2S MolecularWeight: 360.81802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN4O2S/c1-10-5-3-4-6-14(10)20-11(2)18-19-16(20)24-15-8-7-12(21(22)23)9-13(15)17/h3-9H,1-2H3