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

Systemtic Name: 4-methyl-3-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-5-(phenylmethyl)-1,2,4-triazole Openeye Name: 3-benzyl-4-methyl-5-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1,2,4-triazole CAS Name: 4-methyl-3-[(4-methylsulfonyl-2-nitrophenyl)thio]-5-(phenylmethyl)-1,2,4-triazole IUPAC Name: 3-benzyl-4-methyl-5-(4-methylsulfonyl-2-nitrophenyl)sulfanyl-1,2,4-triazole Traditional Name: 3-benzyl-5-[(4-mesyl-2-nitro-phenyl)thio]-4-methyl-1,2,4-triazole Formula: C17H16N4O4S2 MolecularWeight: 404.46334

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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-])CC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C17H16N4O4S2/c1-20-16(10-12-6-4-3-5-7-12)18-19-17(20)26-15-9-8-13(27(2,24)25)11-14(15)21(22)23/h3-9,11H,10H2,1-2H3