4-(3-oxidanylidene-1,2-benzothiazol-2-yl)benzenecarbonitrile

Systemtic Name: 4-(3-oxidanylidene-1,2-benzothiazol-2-yl)benzenecarbonitrile Openeye Name: 4-(3-oxo-1,2-benzothiazol-2-yl)benzonitrile CAS Name: 4-(3-oxo-1,2-benzothiazol-2-yl)benzonitrile IUPAC Name: 4-(3-oxo-1,2-benzothiazol-2-yl)benzonitrile Traditional Name: 4-(3-keto-1,2-benzothiazol-2-yl)benzonitrile Formula: C14H8N2OS MolecularWeight: 252.29112

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(S2)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C14H8N2OS/c15-9-10-5-7-11(8-6-10)16-14(17)12-3-1-2-4-13(12)18-16/h1-8H