3-(1-methyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)-3-oxidanylidene-2-(phenylsulfonyl)propanenitrile

Systemtic Name: 3-(1-methyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)-3-oxidanylidene-2-(phenylsulfonyl)propanenitrile Openeye Name: 2-(benzenesulfonyl)-3-(1-methyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)-3-oxo-propanenitrile CAS Name: 2-(benzenesulfonyl)-3-(1-methyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)-3-oxopropanenitrile IUPAC Name: 2-(benzenesulfonyl)-3-(1-methyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)-3-oxopropanenitrile Traditional Name: 2-besyl-3-keto-3-(1-methyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)propionitrile Formula: C20H15N3O3S2 MolecularWeight: 409.4814

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CSC3=CC=CC=C32)C(=N1)C(=O)C(C#N)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(CSC3=CC=CC=C32)C(=N1)C(=O)C(C#N)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H15N3O3S2/c1-23-19-14-9-5-6-10-16(14)27-12-15(19)18(22-23)20(24)17(11-21)28(25,26)13-7-3-2-4-8-13/h2-10,17H,12H2,1H3