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

Systemtic Name: 5-chloranyl-2-[(4-ethynylphenyl)methyl]-1,2-thiazol-3-one Openeye Name: 5-chloro-2-[(4-ethynylphenyl)methyl]isothiazol-3-one CAS Name: 5-chloro-2-[(4-ethynylphenyl)methyl]-3-isothiazolone IUPAC Name: 5-chloro-2-[(4-ethynylphenyl)methyl]-1,2-thiazol-3-one Traditional Name: 5-chloro-2-(4-ethynylbenzyl)-4-isothiazolin-3-one Formula: C12H8ClNOS MolecularWeight: 249.71602

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC=C(C=C1)CN2C(=O)C=C(S2)Cl

Isomeric SMILES

C#CC1=CC=C(C=C1)CN2C(=O)C=C(S2)Cl

InChI

InChI=1S/C12H8ClNOS/c1-2-9-3-5-10(6-4-9)8-14-12(15)7-11(13)16-14/h1,3-7H,8H2