4,6-diphenyl-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]pyridine-3-carbonitrile

Systemtic Name: 4,6-diphenyl-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]pyridine-3-carbonitrile Openeye Name: 4,6-diphenyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)pyridine-3-carbonitrile CAS Name: 4,6-diphenyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)-3-pyridinecarbonitrile IUPAC Name: 4,6-diphenyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)pyridine-3-carbonitrile Traditional Name: 4,6-diphenyl-2-(1,1,3-triketo-1,2-benzothiazol-2-yl)nicotinonitrile Formula: C25H15N3O3S MolecularWeight: 437.4699

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)N3C(=O)C4=CC=CC=C4S3(=O)=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)N3C(=O)C4=CC=CC=C4S3(=O)=O)C5=CC=CC=C5

InChI

InChI=1S/C25H15N3O3S/c26-16-21-20(17-9-3-1-4-10-17)15-22(18-11-5-2-6-12-18)27-24(21)28-25(29)19-13-7-8-14-23(19)32(28,30)31/h1-15H