2-(1,3-benzothiazol-2-yl)-4,5-dimethyl-1H-pyrazol-3-one

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4,5-dimethyl-1H-pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4,5-dimethyl-1H-pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4,5-dimethyl-1H-pyrazol-3-one IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4,5-dimethyl-1H-pyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4,5-dimethyl-3-pyrazolin-3-one Formula: C12H11N3OS MolecularWeight: 245.30024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NN(C1=O)C2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CC1=C(NN(C1=O)C2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C12H11N3OS/c1-7-8(2)14-15(11(7)16)12-13-9-5-3-4-6-10(9)17-12/h3-6,14H,1-2H3