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

Systemtic Name: 5-chloranyl-2-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-1,2-thiazol-3-one Openeye Name: 5-chloro-2-[[4-(2-methylthiazol-4-yl)phenyl]methyl]isothiazol-3-one CAS Name: 5-chloro-2-[[4-(2-methyl-4-thiazolyl)phenyl]methyl]-3-isothiazolone IUPAC Name: 5-chloro-2-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-1,2-thiazol-3-one Traditional Name: 5-chloro-2-[4-(2-methylthiazol-4-yl)benzyl]-4-isothiazolin-3-one Formula: C14H11ClN2OS2 MolecularWeight: 322.83294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2=CC=C(C=C2)CN3C(=O)C=C(S3)Cl

Isomeric SMILES

CC1=NC(=CS1)C2=CC=C(C=C2)CN3C(=O)C=C(S3)Cl

InChI

InChI=1S/C14H11ClN2OS2/c1-9-16-12(8-19-9)11-4-2-10(3-5-11)7-17-14(18)6-13(15)20-17/h2-6,8H,7H2,1H3