3-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]carbonyl-1H-pyridazin-6-one

Systemtic Name: 3-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]carbonyl-1H-pyridazin-6-one Openeye Name: 3-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one CAS Name: 3-[[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-oxomethyl]-1H-pyridazin-6-one IUPAC Name: 3-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one Traditional Name: 3-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one Formula: C16H14N4O2S MolecularWeight: 326.37296

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=NNC(=O)C=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H](N(C1)C(=O)C2=NNC(=O)C=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C16H14N4O2S/c21-14-8-7-11(18-19-14)16(22)20-9-3-5-12(20)15-17-10-4-1-2-6-13(10)23-15/h1-2,4,6-8,12H,3,5,9H2,(H,19,21)/t12-/m1/s1