(2R)-2-(1,3-benzothiazol-2-yl)-2-(5-chloranyl-6-oxidanylidene-1-propan-2-yl-pyridazin-4-yl)ethanenitrile

Systemtic Name: (2R)-2-(1,3-benzothiazol-2-yl)-2-(5-chloranyl-6-oxidanylidene-1-propan-2-yl-pyridazin-4-yl)ethanenitrile Openeye Name: (2R)-2-(1,3-benzothiazol-2-yl)-2-(5-chloro-1-isopropyl-6-oxo-pyridazin-4-yl)acetonitrile CAS Name: (2R)-2-(1,3-benzothiazol-2-yl)-2-(5-chloro-6-oxo-1-propan-2-yl-4-pyridazinyl)acetonitrile IUPAC Name: (2R)-2-(1,3-benzothiazol-2-yl)-2-(5-chloro-6-oxo-1-propan-2-ylpyridazin-4-yl)acetonitrile Traditional Name: (2R)-2-(1,3-benzothiazol-2-yl)-2-(5-chloro-1-isopropyl-6-keto-pyridazin-4-yl)acetonitrile Formula: C16H13ClN4OS MolecularWeight: 344.81862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C(=C(C=N1)C(C#N)C2=NC3=CC=CC=C3S2)Cl

Isomeric SMILES

CC(C)N1C(=O)C(=C(C=N1)[C@H](C#N)C2=NC3=CC=CC=C3S2)Cl

InChI

InChI=1S/C16H13ClN4OS/c1-9(2)21-16(22)14(17)11(8-19-21)10(7-18)15-20-12-5-3-4-6-13(12)23-15/h3-6,8-10H,1-2H3/t10-/m0/s1