2-(1,3-benzoxazol-2-ylsulfanyl)-1-(3,4-dimethylphenyl)propan-1-one

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(3,4-dimethylphenyl)propan-1-one Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(3,4-dimethylphenyl)propan-1-one CAS Name: 2-(1,3-benzoxazol-2-ylthio)-1-(3,4-dimethylphenyl)-1-propanone IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(3,4-dimethylphenyl)propan-1-one Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-1-(3,4-dimethylphenyl)propan-1-one Formula: C18H17NO2S MolecularWeight: 311.39808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(C)SC2=NC3=CC=CC=C3O2)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C(C)SC2=NC3=CC=CC=C3O2)C

InChI

InChI=1S/C18H17NO2S/c1-11-8-9-14(10-12(11)2)17(20)13(3)22-18-19-15-6-4-5-7-16(15)21-18/h4-10,13H,1-3H3