S-[2-phenyl-5-(phenylsulfonyl)-1H-imidazol-4-yl] benzenecarbothioate

Systemtic Name: S-[2-phenyl-5-(phenylsulfonyl)-1H-imidazol-4-yl] benzenecarbothioate Openeye Name: S-[5-(benzenesulfonyl)-2-phenyl-1H-imidazol-4-yl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[5-(benzenesulfonyl)-2-phenyl-1H-imidazol-4-yl] ester IUPAC Name: S-[5-(benzenesulfonyl)-2-phenyl-1H-imidazol-4-yl] benzenecarbothioate Traditional Name: thiobenzoic acid S-(5-besyl-2-phenyl-1H-imidazol-4-yl) ester Formula: C22H16N2O3S2 MolecularWeight: 420.50404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=C(N2)S(=O)(=O)C3=CC=CC=C3)SC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=C(N2)S(=O)(=O)C3=CC=CC=C3)SC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H16N2O3S2/c25-22(17-12-6-2-7-13-17)28-20-21(29(26,27)18-14-8-3-9-15-18)24-19(23-20)16-10-4-1-5-11-16/h1-15H,(H,23,24)