(4R)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-(3-methylbutyl)-4H-pyrazol-3-one

Systemtic Name: (4R)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-(3-methylbutyl)-4H-pyrazol-3-one Openeye Name: (4R)-2-(1,3-benzothiazol-2-yl)-4-isopentyl-5-methyl-4H-pyrazol-3-one CAS Name: (4R)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-(3-methylbutyl)-4H-pyrazol-3-one IUPAC Name: (4R)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-(3-methylbutyl)-4H-pyrazol-3-one Traditional Name: (4R)-2-(1,3-benzothiazol-2-yl)-4-isoamyl-5-methyl-2-pyrazolin-3-one Formula: C16H19N3OS MolecularWeight: 301.40656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1CCC(C)C)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=NN(C(=O)[C@@H]1CCC(C)C)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H19N3OS/c1-10(2)8-9-12-11(3)18-19(15(12)20)16-17-13-6-4-5-7-14(13)21-16/h4-7,10,12H,8-9H2,1-3H3/t12-/m1/s1