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

Systemtic Name: S-[2-phenyl-5-(phenylsulfonyl)-1H-imidazol-4-yl] 2-methylbenzenecarbothioate Openeye Name: S-[5-(benzenesulfonyl)-2-phenyl-1H-imidazol-4-yl] 2-methylbenzenecarbothioate CAS Name: 2-methylbenzenecarbothioic acid S-[5-(benzenesulfonyl)-2-phenyl-1H-imidazol-4-yl] ester IUPAC Name: S-[5-(benzenesulfonyl)-2-phenyl-1H-imidazol-4-yl] 2-methylbenzenecarbothioate Traditional Name: 2-methylthiobenzoic acid S-(5-besyl-2-phenyl-1H-imidazol-4-yl) ester Formula: C23H18N2O3S2 MolecularWeight: 434.53062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)SC2=C(NC(=N2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C(=O)SC2=C(NC(=N2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H18N2O3S2/c1-16-10-8-9-15-19(16)23(26)29-21-22(30(27,28)18-13-6-3-7-14-18)25-20(24-21)17-11-4-2-5-12-17/h2-15H,1H3,(H,24,25)