3-(4-methylphenyl)-5-methylsulfanyl-1-(4-methylsulfonylphenyl)-1,2,4-triazole

Systemtic Name: 3-(4-methylphenyl)-5-methylsulfanyl-1-(4-methylsulfonylphenyl)-1,2,4-triazole Openeye Name: 5-methylsulfanyl-1-(4-methylsulfonylphenyl)-3-(p-tolyl)-1,2,4-triazole CAS Name: 3-(4-methylphenyl)-1-(4-methylsulfonylphenyl)-5-(methylthio)-1,2,4-triazole IUPAC Name: 3-(4-methylphenyl)-5-methylsulfanyl-1-(4-methylsulfonylphenyl)-1,2,4-triazole Traditional Name: 1-(4-mesylphenyl)-5-(methylthio)-3-(p-tolyl)-1,2,4-triazole Formula: C17H17N3O2S2 MolecularWeight: 359.46578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=N2)SC)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=N2)SC)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C17H17N3O2S2/c1-12-4-6-13(7-5-12)16-18-17(23-2)20(19-16)14-8-10-15(11-9-14)24(3,21)22/h4-11H,1-3H3