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

Systemtic Name: 3-(2-chloranyl-4-nitro-phenyl)sulfanyl-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole Openeye Name: 3-(2-chloro-4-nitro-phenyl)sulfanyl-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole CAS Name: 3-[(2-chloro-4-nitrophenyl)thio]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole IUPAC Name: 3-(2-chloro-4-nitrophenyl)sulfanyl-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole Traditional Name: 3-[(2-chloro-4-nitro-phenyl)thio]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole Formula: C16H13ClN4O3S MolecularWeight: 376.81742

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C3=CC=C(C=C3)OC

Isomeric SMILES

CN1C(=NN=C1SC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C3=CC=C(C=C3)OC

InChI

InChI=1S/C16H13ClN4O3S/c1-20-15(10-3-6-12(24-2)7-4-10)18-19-16(20)25-14-8-5-11(21(22)23)9-13(14)17/h3-9H,1-2H3