cyanomethyl 2-[2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: cyanomethyl 2-[2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: cyanomethyl 2-[2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-2-oxoethyl]thio]benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]ethyl]thio]benzoic acid cyanomethyl ester Formula: C22H20N4O4S MolecularWeight: 436.4836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=CC=CC=C3C(=O)OCC#N

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=CC=CC=C3C(=O)OCC#N

InChI

InChI=1S/C22H20N4O4S/c1-15-20(21(28)26(25(15)2)16-8-4-3-5-9-16)24-19(27)14-31-18-11-7-6-10-17(18)22(29)30-13-12-23/h3-11H,13-14H2,1-2H3,(H,24,27)