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

Systemtic Name: 2-[(1-methyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)carbonyl]-3-oxidanylidene-3-phenyl-propanenitrile Openeye Name: 2-benzoyl-3-(1-methyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)-3-oxo-propanenitrile CAS Name: 2-benzoyl-3-(1-methyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)-3-oxopropanenitrile IUPAC Name: 2-benzoyl-3-(1-methyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)-3-oxopropanenitrile Traditional Name: 2-benzoyl-3-keto-3-(1-methyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)propionitrile Formula: C21H15N3O2S MolecularWeight: 373.4277

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15N3O2S/c1-24-19-14-9-5-6-10-17(14)27-12-16(19)18(23-24)21(26)15(11-22)20(25)13-7-3-2-4-8-13/h2-10,15H,12H2,1H3