2-(1,3-benzothiazol-2-yl)-2-[5-chloranyl-6-oxidanylidene-1-(phenylmethyl)pyridazin-4-yl]ethanenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-[5-chloranyl-6-oxidanylidene-1-(phenylmethyl)pyridazin-4-yl]ethanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-(1-benzyl-5-chloro-6-oxo-pyridazin-4-yl)acetonitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-2-[5-chloro-6-oxo-1-(phenylmethyl)-4-pyridazinyl]acetonitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-(1-benzyl-5-chloro-6-oxopyridazin-4-yl)acetonitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-(1-benzyl-5-chloro-6-keto-pyridazin-4-yl)acetonitrile Formula: C20H13ClN4OS MolecularWeight: 392.86142

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C(=C(C=N2)C(C#N)C3=NC4=CC=CC=C4S3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C(=C(C=N2)C(C#N)C3=NC4=CC=CC=C4S3)Cl

InChI

InChI=1S/C20H13ClN4OS/c21-18-15(11-23-25(20(18)26)12-13-6-2-1-3-7-13)14(10-22)19-24-16-8-4-5-9-17(16)27-19/h1-9,11,14H,12H2