4-[(2,4-dimethyl-1,3-benzothiazol-5-yl)carbonyl]-2-propan-2-yl-1H-pyrazol-3-one

Systemtic Name: 4-[(2,4-dimethyl-1,3-benzothiazol-5-yl)carbonyl]-2-propan-2-yl-1H-pyrazol-3-one Openeye Name: 4-(2,4-dimethyl-1,3-benzothiazole-5-carbonyl)-2-isopropyl-1H-pyrazol-3-one CAS Name: 4-[(2,4-dimethyl-1,3-benzothiazol-5-yl)-oxomethyl]-2-propan-2-yl-1H-pyrazol-3-one IUPAC Name: 4-(2,4-dimethyl-1,3-benzothiazole-5-carbonyl)-2-propan-2-yl-1H-pyrazol-3-one Traditional Name: 4-(2,4-dimethyl-1,3-benzothiazole-5-carbonyl)-2-isopropyl-3-pyrazolin-3-one Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(S2)C)C(=O)C3=CNN(C3=O)C(C)C

Isomeric SMILES

CC1=C(C=CC2=C1N=C(S2)C)C(=O)C3=CNN(C3=O)C(C)C

InChI

InChI=1S/C16H17N3O2S/c1-8(2)19-16(21)12(7-17-19)15(20)11-5-6-13-14(9(11)3)18-10(4)22-13/h5-8,17H,1-4H3