5-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-(4,6-dimethylpyrimidin-2-yl)-4H-pyrazol-3-one

Systemtic Name: 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-(4,6-dimethylpyrimidin-2-yl)-4H-pyrazol-3-one Openeye Name: 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-(4,6-dimethylpyrimidin-2-yl)-4H-pyrazol-3-one CAS Name: 5-[(1,3-benzothiazol-2-ylthio)methyl]-2-(4,6-dimethyl-2-pyrimidinyl)-4H-pyrazol-3-one IUPAC Name: 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-(4,6-dimethylpyrimidin-2-yl)-4H-pyrazol-3-one Traditional Name: 5-[(1,3-benzothiazol-2-ylthio)methyl]-2-(4,6-dimethylpyrimidin-2-yl)-2-pyrazolin-3-one Formula: C17H15N5OS2 MolecularWeight: 369.4639

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C(=O)CC(=N2)CSC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C(=O)CC(=N2)CSC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C17H15N5OS2/c1-10-7-11(2)19-16(18-10)22-15(23)8-12(21-22)9-24-17-20-13-5-3-4-6-14(13)25-17/h3-7H,8-9H2,1-2H3