4-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]butan-2-one hydrochloride

Systemtic Name: 4-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]butan-2-one hydrochloride Openeye Name: 4-(4,5-diphenyloxazol-2-yl)sulfanylbutan-2-one hydrochloride CAS Name: 4-[(4,5-diphenyl-2-oxazolyl)thio]-2-butanone hydrochloride IUPAC Name: 4-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]butan-2-one hydrochloride Traditional Name: 4-[(4,5-diphenyloxazol-2-yl)thio]butan-2-one hydrochloride Formula: C19H18ClNO2S MolecularWeight: 359.86972

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCSC1=NC(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3.Cl

Isomeric SMILES

CC(=O)CCSC1=NC(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3.Cl

InChI

InChI=1S/C19H17NO2S.ClH/c1-14(21)12-13-23-19-20-17(15-8-4-2-5-9-15)18(22-19)16-10-6-3-7-11-16;/h2-11H,12-13H2,1H3;1H