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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C)SC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C)SC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

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