2-[[3-(chloromethyl)-1,2-oxazol-5-yl]methyl]-4-methyl-benzenecarbothioamide

Systemtic Name: 2-[[3-(chloromethyl)-1,2-oxazol-5-yl]methyl]-4-methyl-benzenecarbothioamide Openeye Name: 2-[[3-(chloromethyl)isoxazol-5-yl]methyl]-4-methyl-benzenecarbothioamide CAS Name: 2-[[3-(chloromethyl)-5-isoxazolyl]methyl]-4-methylbenzenecarbothioamide IUPAC Name: 2-[[3-(chloromethyl)-1,2-oxazol-5-yl]methyl]-4-methylbenzenecarbothioamide Traditional Name: 2-[[3-(chloromethyl)isoxazol-5-yl]methyl]-4-methyl-thiobenzamide Formula: C13H13ClN2OS MolecularWeight: 280.77312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=S)N)CC2=CC(=NO2)CCl

Isomeric SMILES

CC1=CC(=C(C=C1)C(=S)N)CC2=CC(=NO2)CCl

InChI

InChI=1S/C13H13ClN2OS/c1-8-2-3-12(13(15)18)9(4-8)5-11-6-10(7-14)16-17-11/h2-4,6H,5,7H2,1H3,(H2,15,18)