3-(2-cyano-3-oxidanylidene-3-phenylazanyl-propanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-8-carboxylic acid

Systemtic Name: 3-(2-cyano-3-oxidanylidene-3-phenylazanyl-propanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-8-carboxylic acid Openeye Name: 3-(3-anilino-2-cyano-3-oxo-propanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-8-carboxylic acid CAS Name: 3-(3-anilino-2-cyano-1,3-dioxopropyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-8-carboxylic acid IUPAC Name: 3-(3-anilino-2-cyano-3-oxopropanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-8-carboxylic acid Traditional Name: 3-(3-anilino-2-cyano-3-keto-propanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-8-carboxylic acid Formula: C27H18N4O4S MolecularWeight: 494.52122

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C3=C(S1)C=CC(=C3)C(=O)O)N(N=C2C(=O)C(C#N)C(=O)NC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C2=C(C3=C(S1)C=CC(=C3)C(=O)O)N(N=C2C(=O)C(C#N)C(=O)NC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H18N4O4S/c28-14-20(26(33)29-17-7-3-1-4-8-17)25(32)23-21-15-36-22-12-11-16(27(34)35)13-19(22)24(21)31(30-23)18-9-5-2-6-10-18/h1-13,20H,15H2,(H,29,33)(H,34,35)