2-(1,3-benzoxazol-2-yl)-2-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]ethanenitrile

Systemtic Name: 2-(1,3-benzoxazol-2-yl)-2-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]ethanenitrile Openeye Name: 2-(1,3-benzoxazol-2-yl)-2-(1,1-dioxo-1,2-benzothiazol-3-yl)acetonitrile CAS Name: 2-(1,3-benzoxazol-2-yl)-2-(1,1-dioxo-1,2-benzothiazol-3-yl)acetonitrile IUPAC Name: 2-(1,3-benzoxazol-2-yl)-2-(1,1-dioxo-1,2-benzothiazol-3-yl)acetonitrile Traditional Name: 2-(1,3-benzoxazol-2-yl)-2-(1,1-diketo-1,2-benzothiazol-3-yl)acetonitrile Formula: C16H9N3O3S MolecularWeight: 323.32596

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NS2(=O)=O)C(C#N)C3=NC4=CC=CC=C4O3

Isomeric SMILES

C1=CC=C2C(=C1)C(=NS2(=O)=O)C(C#N)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C16H9N3O3S/c17-9-11(16-18-12-6-2-3-7-13(12)22-16)15-10-5-1-4-8-14(10)23(20,21)19-15/h1-8,11H