2-azanyl-1-[3-(4-methyl-6-sulfanylidene-cyclohexa-1,3-dien-1-yl)-1,2-oxazol-5-yl]ethanone hydrochloride

Systemtic Name: 2-azanyl-1-[3-(4-methyl-6-sulfanylidene-cyclohexa-1,3-dien-1-yl)-1,2-oxazol-5-yl]ethanone hydrochloride Openeye Name: 2-amino-1-[3-(4-methyl-6-thioxo-cyclohexa-1,3-dien-1-yl)isoxazol-5-yl]ethanone hydrochloride CAS Name: 2-amino-1-[3-(4-methyl-6-sulfanylidene-1-cyclohexa-1,3-dienyl)-5-isoxazolyl]ethanone hydrochloride IUPAC Name: 2-amino-1-[3-(4-methyl-6-sulfanylidenecyclohexa-1,3-dien-1-yl)-1,2-oxazol-5-yl]ethanone hydrochloride Traditional Name: 2-amino-1-[3-(4-methyl-6-thioxo-cyclohexa-1,3-dien-1-yl)isoxazol-5-yl]ethanone hydrochloride Formula: C12H13ClN2O2S MolecularWeight: 284.76182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C(=S)C1)C2=NOC(=C2)C(=O)CN.Cl

Isomeric SMILES

CC1=CC=C(C(=S)C1)C2=NOC(=C2)C(=O)CN.Cl

InChI

InChI=1S/C12H12N2O2S.ClH/c1-7-2-3-8(12(17)4-7)9-5-11(16-14-9)10(15)6-13;/h2-3,5H,4,6,13H2,1H3;1H