3-(2,4-dihydrothiochromeno[4,3-c]pyrazol-3-yl)-3-oxidanylidene-2-(phenylsulfonyl)propanenitrile

Systemtic Name: 3-(2,4-dihydrothiochromeno[4,3-c]pyrazol-3-yl)-3-oxidanylidene-2-(phenylsulfonyl)propanenitrile Openeye Name: 2-(benzenesulfonyl)-3-(2,4-dihydrothiochromeno[4,3-c]pyrazol-3-yl)-3-oxo-propanenitrile CAS Name: 2-(benzenesulfonyl)-3-(2,4-dihydrothiochromeno[4,3-c]pyrazol-3-yl)-3-oxopropanenitrile IUPAC Name: 2-(benzenesulfonyl)-3-(2,4-dihydrothiochromeno[4,3-c]pyrazol-3-yl)-3-oxopropanenitrile Traditional Name: 2-besyl-3-(2,4-dihydrothiochromeno[4,3-c]pyrazol-3-yl)-3-keto-propionitrile Formula: C19H13N3O3S2 MolecularWeight: 395.45482

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(NN=C2C3=CC=CC=C3S1)C(=O)C(C#N)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1C2=C(NN=C2C3=CC=CC=C3S1)C(=O)C(C#N)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C19H13N3O3S2/c20-10-16(27(24,25)12-6-2-1-3-7-12)19(23)18-14-11-26-15-9-5-4-8-13(15)17(14)21-22-18/h1-9,16H,11H2,(H,21,22)