1-phenyl-2-[[5-[4-(phenylsulfonyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-phenyl-2-[[5-[4-(phenylsulfonyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[[5-[4-(benzenesulfonyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-[4-(benzenesulfonyl)phenyl]-1H-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-[4-(benzenesulfonyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[5-(4-besylphenyl)-1H-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C22H17N3O3S2 MolecularWeight: 435.51868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)C3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)C3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H17N3O3S2/c26-20(16-7-3-1-4-8-16)15-29-22-23-21(24-25-22)17-11-13-19(14-12-17)30(27,28)18-9-5-2-6-10-18/h1-14H,15H2,(H,23,24,25)