3-[2-[4-[(5-chloranyl-3-oxidanylidene-1,2-thiazol-2-yl)methyl]phenyl]ethynyl]benzenecarbonitrile

Systemtic Name: 3-[2-[4-[(5-chloranyl-3-oxidanylidene-1,2-thiazol-2-yl)methyl]phenyl]ethynyl]benzenecarbonitrile Openeye Name: 3-[2-[4-[(5-chloro-3-oxo-isothiazol-2-yl)methyl]phenyl]ethynyl]benzonitrile CAS Name: 3-[2-[4-[(5-chloro-3-oxo-2-isothiazolyl)methyl]phenyl]ethynyl]benzonitrile IUPAC Name: 3-[2-[4-[(5-chloro-3-oxo-1,2-thiazol-2-yl)methyl]phenyl]ethynyl]benzonitrile Traditional Name: 3-[2-[4-[(5-chloro-3-keto-4-isothiazolin-2-yl)methyl]phenyl]ethynyl]benzonitrile Formula: C19H11ClN2OS MolecularWeight: 350.82144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C#N)C#CC2=CC=C(C=C2)CN3C(=O)C=C(S3)Cl

Isomeric SMILES

C1=CC(=CC(=C1)C#N)C#CC2=CC=C(C=C2)CN3C(=O)C=C(S3)Cl

InChI

InChI=1S/C19H11ClN2OS/c20-18-11-19(23)22(24-18)13-16-8-5-14(6-9-16)4-7-15-2-1-3-17(10-15)12-21/h1-3,5-6,8-11H,13H2