3-methyl-5-(4-methylsulfonylphenyl)-1-(4-nitrophenyl)-1,2,4-triazole

Systemtic Name: 3-methyl-5-(4-methylsulfonylphenyl)-1-(4-nitrophenyl)-1,2,4-triazole Openeye Name: 3-methyl-5-(4-methylsulfonylphenyl)-1-(4-nitrophenyl)-1,2,4-triazole CAS Name: 3-methyl-5-(4-methylsulfonylphenyl)-1-(4-nitrophenyl)-1,2,4-triazole IUPAC Name: 3-methyl-5-(4-methylsulfonylphenyl)-1-(4-nitrophenyl)-1,2,4-triazole Traditional Name: 5-(4-mesylphenyl)-3-methyl-1-(4-nitrophenyl)-1,2,4-triazole Formula: C16H14N4O4S MolecularWeight: 358.37176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O4S/c1-11-17-16(12-3-9-15(10-4-12)25(2,23)24)19(18-11)13-5-7-14(8-6-13)20(21)22/h3-10H,1-2H3