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

Systemtic Name: ethyl 1-[3-[[4-(1,3-dithian-2-yl)phenyl]carbonylamino]phenyl]-5-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[3-[[4-(1,3-dithian-2-yl)benzoyl]amino]phenyl]-5-methyl-pyrazole-4-carboxylate CAS Name: 1-[3-[[[4-(1,3-dithian-2-yl)phenyl]-oxomethyl]amino]phenyl]-5-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[[4-(1,3-dithian-2-yl)benzoyl]amino]phenyl]-5-methylpyrazole-4-carboxylate Traditional Name: 1-[3-[[4-(1,3-dithian-2-yl)benzoyl]amino]phenyl]-5-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C24H25N3O3S2 MolecularWeight: 467.6036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)C4SCCCS4)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)C4SCCCS4)C

InChI

InChI=1S/C24H25N3O3S2/c1-3-30-23(29)21-15-25-27(16(21)2)20-7-4-6-19(14-20)26-22(28)17-8-10-18(11-9-17)24-31-12-5-13-32-24/h4,6-11,14-15,24H,3,5,12-13H2,1-2H3,(H,26,28)