5-methyl-3-[[4-(4-methylphenyl)sulfonylphenyl]methylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-methyl-3-[[4-(4-methylphenyl)sulfonylphenyl]methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-methyl-3-[[4-(p-tolylsulfonyl)phenyl]methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-methyl-3-[[4-(4-methylphenyl)sulfonylphenyl]methylthio]-1H-1,2,4-triazole IUPAC Name: 5-methyl-3-[[4-(4-methylphenyl)sulfonylphenyl]methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-methyl-3-[(4-tosylbenzyl)thio]-1H-1,2,4-triazole Formula: C17H17N3O2S2 MolecularWeight: 359.46578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)CSC3=NNC(=N3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)CSC3=NNC(=N3)C

InChI

InChI=1S/C17H17N3O2S2/c1-12-3-7-15(8-4-12)24(21,22)16-9-5-14(6-10-16)11-23-17-18-13(2)19-20-17/h3-10H,11H2,1-2H3,(H,18,19,20)