3-oxidanylidene-2-(phenylsulfonyl)-3-(4H-thiochromeno[3,4-d][1,2]oxazol-3-yl)propanenitrile

Systemtic Name: 3-oxidanylidene-2-(phenylsulfonyl)-3-(4H-thiochromeno[3,4-d][1,2]oxazol-3-yl)propanenitrile Openeye Name: 2-(benzenesulfonyl)-3-oxo-3-(4H-thiochromeno[3,4-d]isoxazol-3-yl)propanenitrile CAS Name: 2-(benzenesulfonyl)-3-oxo-3-(4H-thiochromeno[3,4-d]isoxazol-3-yl)propanenitrile IUPAC Name: 2-(benzenesulfonyl)-3-oxo-3-(4H-thiochromeno[3,4-d][1,2]oxazol-3-yl)propanenitrile Traditional Name: 2-besyl-3-keto-3-(4H-thiochromen[3,4-d]isoxazol-3-yl)propionitrile Formula: C19H12N2O4S2 MolecularWeight: 396.43958

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C3=CC=CC=C3S1)ON=C2C(=O)C(C#N)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1C2=C(C3=CC=CC=C3S1)ON=C2C(=O)C(C#N)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C19H12N2O4S2/c20-10-16(27(23,24)12-6-2-1-3-7-12)18(22)17-14-11-26-15-9-5-4-8-13(15)19(14)25-21-17/h1-9,16H,11H2