(4S)-2-(1,3-benzothiazol-2-yl)-4-(2-hydroxyethyl)-5-methyl-4H-pyrazol-3-one

Systemtic Name: (4S)-2-(1,3-benzothiazol-2-yl)-4-(2-hydroxyethyl)-5-methyl-4H-pyrazol-3-one Openeye Name: (4S)-2-(1,3-benzothiazol-2-yl)-4-(2-hydroxyethyl)-5-methyl-4H-pyrazol-3-one CAS Name: (4S)-2-(1,3-benzothiazol-2-yl)-4-(2-hydroxyethyl)-5-methyl-4H-pyrazol-3-one IUPAC Name: (4S)-2-(1,3-benzothiazol-2-yl)-4-(2-hydroxyethyl)-5-methyl-4H-pyrazol-3-one Traditional Name: (4S)-2-(1,3-benzothiazol-2-yl)-4-(2-hydroxyethyl)-5-methyl-2-pyrazolin-3-one Formula: C13H13N3O2S MolecularWeight: 275.32622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1CCO)C2=NC3=CC=CC=C3S2

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O2S/c1-8-9(6-7-17)12(18)16(15-8)13-14-10-4-2-3-5-11(10)19-13/h2-5,9,17H,6-7H2,1H3/t9-/m0/s1