1-(4-methylphenyl)sulfonyl-3-phenyl-5-(phenylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 1-(4-methylphenyl)sulfonyl-3-phenyl-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 5-benzylsulfanyl-3-phenyl-1-(p-tolylsulfonyl)-1,2,4-triazole CAS Name: 1-(4-methylphenyl)sulfonyl-3-phenyl-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 5-benzylsulfanyl-1-(4-methylphenyl)sulfonyl-3-phenyl-1,2,4-triazole Traditional Name: 5-(benzylthio)-3-phenyl-1-tosyl-1,2,4-triazole Formula: C22H19N3O2S2 MolecularWeight: 421.53516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(=NC(=N2)C3=CC=CC=C3)SCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(=NC(=N2)C3=CC=CC=C3)SCC4=CC=CC=C4

InChI

InChI=1S/C22H19N3O2S2/c1-17-12-14-20(15-13-17)29(26,27)25-22(28-16-18-8-4-2-5-9-18)23-21(24-25)19-10-6-3-7-11-19/h2-15H,16H2,1H3