5-chloranyl-2-[[4-(phenylsulfonyl)phenyl]methyl]-1,2-thiazol-3-one

Systemtic Name: 5-chloranyl-2-[[4-(phenylsulfonyl)phenyl]methyl]-1,2-thiazol-3-one Openeye Name: 2-[[4-(benzenesulfonyl)phenyl]methyl]-5-chloro-isothiazol-3-one CAS Name: 2-[[4-(benzenesulfonyl)phenyl]methyl]-5-chloro-3-isothiazolone IUPAC Name: 2-[[4-(benzenesulfonyl)phenyl]methyl]-5-chloro-1,2-thiazol-3-one Traditional Name: 2-(4-besylbenzyl)-5-chloro-4-isothiazolin-3-one Formula: C16H12ClNO3S2 MolecularWeight: 365.85438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)CN3C(=O)C=C(S3)Cl

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)CN3C(=O)C=C(S3)Cl

InChI

InChI=1S/C16H12ClNO3S2/c17-15-10-16(19)18(22-15)11-12-6-8-14(9-7-12)23(20,21)13-4-2-1-3-5-13/h1-10H,11H2