5-(1,3-benzoxazol-2-ylsulfanylmethyl)-2-(3,4-dimethylphenyl)-1H-pyrazol-3-one

Systemtic Name: 5-(1,3-benzoxazol-2-ylsulfanylmethyl)-2-(3,4-dimethylphenyl)-1H-pyrazol-3-one Openeye Name: 5-(1,3-benzoxazol-2-ylsulfanylmethyl)-2-(3,4-dimethylphenyl)-1H-pyrazol-3-one CAS Name: 5-[(1,3-benzoxazol-2-ylthio)methyl]-2-(3,4-dimethylphenyl)-1H-pyrazol-3-one IUPAC Name: 5-(1,3-benzoxazol-2-ylsulfanylmethyl)-2-(3,4-dimethylphenyl)-1H-pyrazol-3-one Traditional Name: 5-[(1,3-benzoxazol-2-ylthio)methyl]-2-(3,4-dimethylphenyl)-3-pyrazolin-3-one Formula: C19H17N3O2S MolecularWeight: 351.42218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C=C(N2)CSC3=NC4=CC=CC=C4O3)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C=C(N2)CSC3=NC4=CC=CC=C4O3)C

InChI

InChI=1S/C19H17N3O2S/c1-12-7-8-15(9-13(12)2)22-18(23)10-14(21-22)11-25-19-20-16-5-3-4-6-17(16)24-19/h3-10,21H,11H2,1-2H3