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

Systemtic Name: 5-(1,3-benzoxazol-2-ylsulfanylmethyl)-2-(3-methylphenyl)-1H-pyrazol-3-one Openeye Name: 5-(1,3-benzoxazol-2-ylsulfanylmethyl)-2-(m-tolyl)-1H-pyrazol-3-one CAS Name: 5-[(1,3-benzoxazol-2-ylthio)methyl]-2-(3-methylphenyl)-1H-pyrazol-3-one IUPAC Name: 5-(1,3-benzoxazol-2-ylsulfanylmethyl)-2-(3-methylphenyl)-1H-pyrazol-3-one Traditional Name: 5-[(1,3-benzoxazol-2-ylthio)methyl]-2-(m-tolyl)-3-pyrazolin-3-one Formula: C18H15N3O2S MolecularWeight: 337.3956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O2S/c1-12-5-4-6-14(9-12)21-17(22)10-13(20-21)11-24-18-19-15-7-2-3-8-16(15)23-18/h2-10,20H,11H2,1H3