2-cyano-3-(1-cyclohexa-2,5-dien-1-yl-9H-thiochromeno[4,3-c]pyrazol-3-yl)-3-oxidanylidene-N-phenyl-propanethioamide

Systemtic Name: 2-cyano-3-(1-cyclohexa-2,5-dien-1-yl-9H-thiochromeno[4,3-c]pyrazol-3-yl)-3-oxidanylidene-N-phenyl-propanethioamide Openeye Name: 2-cyano-3-(1-cyclohexa-2,5-dien-1-yl-9H-thiochromeno[4,3-c]pyrazol-3-yl)-3-oxo-N-phenyl-propanethioamide CAS Name: 2-cyano-3-[1-(1-cyclohexa-2,5-dienyl)-9H-thiochromeno[4,3-c]pyrazol-3-yl]-3-oxo-N-phenylpropanethioamide IUPAC Name: 2-cyano-3-(1-cyclohexa-2,5-dien-1-yl-9H-thiochromeno[4,3-c]pyrazol-3-yl)-3-oxo-N-phenylpropanethioamide Traditional Name: 2-cyano-3-(1-cyclohexa-2,5-dien-1-yl-9H-thiochromeno[4,3-c]pyrazol-3-yl)-3-keto-N-phenyl-thiopropionamide Formula: C26H20N4OS2 MolecularWeight: 468.5932

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(C=C1)N2C3=C4CC=CC=C4SC=C3C(=N2)C(=O)C(C#N)C(=S)NC5=CC=CC=C5

Isomeric SMILES

C1C=CC(C=C1)N2C3=C4CC=CC=C4SC=C3C(=N2)C(=O)C(C#N)C(=S)NC5=CC=CC=C5

InChI

InChI=1S/C26H20N4OS2/c27-15-20(26(32)28-17-9-3-1-4-10-17)25(31)23-21-16-33-22-14-8-7-13-19(22)24(21)30(29-23)18-11-5-2-6-12-18/h1,3-12,14,16,18,20H,2,13H2,(H,28,32)