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

Systemtic Name: 4-methyl-3-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-5-phenyl-1,2,4-triazole Openeye Name: 4-methyl-3-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-5-phenyl-1,2,4-triazole CAS Name: 4-methyl-3-[(4-methylsulfonyl-2-nitrophenyl)thio]-5-phenyl-1,2,4-triazole IUPAC Name: 4-methyl-3-(4-methylsulfonyl-2-nitrophenyl)sulfanyl-5-phenyl-1,2,4-triazole Traditional Name: 3-[(4-mesyl-2-nitro-phenyl)thio]-4-methyl-5-phenyl-1,2,4-triazole Formula: C16H14N4O4S2 MolecularWeight: 390.43676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O4S2/c1-19-15(11-6-4-3-5-7-11)17-18-16(19)25-14-9-8-12(26(2,23)24)10-13(14)20(21)22/h3-10H,1-2H3