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

Systemtic Name: 5-chloranyl-2-[(4-pentylsulfonylphenyl)methyl]-1,2-thiazol-3-one Openeye Name: 5-chloro-2-[(4-pentylsulfonylphenyl)methyl]isothiazol-3-one CAS Name: 5-chloro-2-[(4-pentylsulfonylphenyl)methyl]-3-isothiazolone IUPAC Name: 5-chloro-2-[(4-pentylsulfonylphenyl)methyl]-1,2-thiazol-3-one Traditional Name: 2-(4-amylsulfonylbenzyl)-5-chloro-4-isothiazolin-3-one Formula: C15H18ClNO3S2 MolecularWeight: 359.89132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)(=O)C1=CC=C(C=C1)CN2C(=O)C=C(S2)Cl

Isomeric SMILES

CCCCCS(=O)(=O)C1=CC=C(C=C1)CN2C(=O)C=C(S2)Cl

InChI

InChI=1S/C15H18ClNO3S2/c1-2-3-4-9-22(19,20)13-7-5-12(6-8-13)11-17-15(18)10-14(16)21-17/h5-8,10H,2-4,9,11H2,1H3