ethyl 2-[2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 2-[2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate Openeye Name: ethyl 2-[2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate CAS Name: 2-[[2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-2-oxoethyl]thio]-1-ethyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]sulfanyl-1-ethylbenzimidazole-5-carboxylate Traditional Name: 1-ethyl-2-[[2-keto-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]ethyl]thio]benzimidazole-5-carboxylic acid ethyl ester Formula: C25H27N5O4S MolecularWeight: 493.57798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

InChI

InChI=1S/C25H27N5O4S/c1-5-29-20-13-12-17(24(33)34-6-2)14-19(20)26-25(29)35-15-21(31)27-22-16(3)28(4)30(23(22)32)18-10-8-7-9-11-18/h7-14H,5-6,15H2,1-4H3,(H,27,31)