ethyl 5-methyl-1-[3-[[4-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]carbonylamino]phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-methyl-1-[3-[[4-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]carbonylamino]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-methyl-1-[3-[[4-(2-thioxo-1H-imidazol-3-yl)benzoyl]amino]phenyl]pyrazole-4-carboxylate CAS Name: 5-methyl-1-[3-[[oxo-[4-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]methyl]amino]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-1-[3-[[4-(2-sulfanylidene-1H-imidazol-3-yl)benzoyl]amino]phenyl]pyrazole-4-carboxylate Traditional Name: 5-methyl-1-[3-[[4-(2-thioxo-4-imidazolin-1-yl)benzoyl]amino]phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C23H21N5O3S MolecularWeight: 447.50954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)N4C=CNC4=S)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)N4C=CNC4=S)C

InChI

InChI=1S/C23H21N5O3S/c1-3-31-22(30)20-14-25-28(15(20)2)19-6-4-5-17(13-19)26-21(29)16-7-9-18(10-8-16)27-12-11-24-23(27)32/h4-14H,3H2,1-2H3,(H,24,32)(H,26,29)