ethyl 1-[3-[[4-(1,3-dithiolan-2-yl)phenyl]carbonylamino]phenyl]-5-methyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[3-[[4-(1,3-dithiolan-2-yl)phenyl]carbonylamino]phenyl]-5-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[3-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]phenyl]-5-methyl-pyrazole-4-carboxylate CAS Name: 1-[3-[[[4-(1,3-dithiolan-2-yl)phenyl]-oxomethyl]amino]phenyl]-5-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]phenyl]-5-methylpyrazole-4-carboxylate Traditional Name: 1-[3-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]phenyl]-5-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C23H23N3O3S2 MolecularWeight: 453.57702

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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)C4SCCS4)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)C4SCCS4)C

InChI

InChI=1S/C23H23N3O3S2/c1-3-29-22(28)20-14-24-26(15(20)2)19-6-4-5-18(13-19)25-21(27)16-7-9-17(10-8-16)23-30-11-12-31-23/h4-10,13-14,23H,3,11-12H2,1-2H3,(H,25,27)