5-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-(4-methoxyphenyl)-1H-pyrazol-3-one

Systemtic Name: 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-(4-methoxyphenyl)-1H-pyrazol-3-one Openeye Name: 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-(4-methoxyphenyl)-1H-pyrazol-3-one CAS Name: 5-[(1,3-benzothiazol-2-ylthio)methyl]-2-(4-methoxyphenyl)-1H-pyrazol-3-one IUPAC Name: 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-(4-methoxyphenyl)-1H-pyrazol-3-one Traditional Name: 5-[(1,3-benzothiazol-2-ylthio)methyl]-2-(4-methoxyphenyl)-3-pyrazolin-3-one Formula: C18H15N3O2S2 MolecularWeight: 369.4606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C=C(N2)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C=C(N2)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H15N3O2S2/c1-23-14-8-6-13(7-9-14)21-17(22)10-12(20-21)11-24-18-19-15-4-2-3-5-16(15)25-18/h2-10,20H,11H2,1H3