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

Systemtic Name: 4-[2-(1,3-benzothiazol-2-yl)-2-oxidanylidene-ethyl]benzenecarbonitrile Openeye Name: 4-[2-(1,3-benzothiazol-2-yl)-2-oxo-ethyl]benzonitrile CAS Name: 4-[2-(1,3-benzothiazol-2-yl)-2-oxoethyl]benzonitrile IUPAC Name: 4-[2-(1,3-benzothiazol-2-yl)-2-oxoethyl]benzonitrile Traditional Name: 4-[2-(1,3-benzothiazol-2-yl)-2-keto-ethyl]benzonitrile Formula: C16H10N2OS MolecularWeight: 278.3284

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(=O)CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C(=O)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H10N2OS/c17-10-12-7-5-11(6-8-12)9-14(19)16-18-13-3-1-2-4-15(13)20-16/h1-8H,9H2