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

Systemtic Name: S-[2-phenyl-5-(phenylsulfonyl)-1H-imidazol-4-yl] 4-methylbenzenecarbothioate Openeye Name: S-[5-(benzenesulfonyl)-2-phenyl-1H-imidazol-4-yl] 4-methylbenzenecarbothioate CAS Name: 4-methylbenzenecarbothioic acid S-[5-(benzenesulfonyl)-2-phenyl-1H-imidazol-4-yl] ester IUPAC Name: S-[5-(benzenesulfonyl)-2-phenyl-1H-imidazol-4-yl] 4-methylbenzenecarbothioate Traditional Name: 4-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=C(C=C1)C(=O)SC2=C(NC(=N2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)SC2=C(NC(=N2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

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