N-tert-butyl-3-[1-(3-chlorophenyl)-4H-thiochromeno[4,3-c]pyrazol-3-yl]-2-cyano-3-oxidanylidene-propanamide

Systemtic Name: N-tert-butyl-3-[1-(3-chlorophenyl)-4H-thiochromeno[4,3-c]pyrazol-3-yl]-2-cyano-3-oxidanylidene-propanamide Openeye Name: N-tert-butyl-3-[1-(3-chlorophenyl)-4H-thiochromeno[4,3-c]pyrazol-3-yl]-2-cyano-3-oxo-propanamide CAS Name: N-tert-butyl-3-[1-(3-chlorophenyl)-4H-thiochromeno[4,3-c]pyrazol-3-yl]-2-cyano-3-oxopropanamide IUPAC Name: N-tert-butyl-3-[1-(3-chlorophenyl)-4H-thiochromeno[4,3-c]pyrazol-3-yl]-2-cyano-3-oxopropanamide Traditional Name: N-tert-butyl-3-[1-(3-chlorophenyl)-4H-thiochromeno[4,3-c]pyrazol-3-yl]-2-cyano-3-keto-propionamide Formula: C24H21ClN4O2S MolecularWeight: 464.96714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C(C#N)C(=O)C1=NN(C2=C1CSC3=CC=CC=C32)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC(C)(C)NC(=O)C(C#N)C(=O)C1=NN(C2=C1CSC3=CC=CC=C32)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C24H21ClN4O2S/c1-24(2,3)27-23(31)17(12-26)22(30)20-18-13-32-19-10-5-4-9-16(19)21(18)29(28-20)15-8-6-7-14(25)11-15/h4-11,17H,13H2,1-3H3,(H,27,31)