ethyl 6-bromanyl-4-[(4,5-dicyanoimidazol-1-yl)methyl]-2-[(3-methoxyphenyl)sulfanylmethyl]-1-methyl-5-oxidanyl-indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-4-[(4,5-dicyanoimidazol-1-yl)methyl]-2-[(3-methoxyphenyl)sulfanylmethyl]-1-methyl-5-oxidanyl-indole-3-carboxylate Openeye Name: ethyl 6-bromo-4-[(4,5-dicyanoimidazol-1-yl)methyl]-5-hydroxy-2-[(3-methoxyphenyl)sulfanylmethyl]-1-methyl-indole-3-carboxylate CAS Name: 6-bromo-4-[(4,5-dicyano-1-imidazolyl)methyl]-5-hydroxy-2-[[(3-methoxyphenyl)thio]methyl]-1-methyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-4-[(4,5-dicyanoimidazol-1-yl)methyl]-5-hydroxy-2-[(3-methoxyphenyl)sulfanylmethyl]-1-methylindole-3-carboxylate Traditional Name: 6-bromo-4-[(4,5-dicyanoimidazol-1-yl)methyl]-5-hydroxy-2-[[(3-methoxyphenyl)thio]methyl]-1-methyl-indole-3-carboxylic acid ethyl ester Formula: C26H22BrN5O4S MolecularWeight: 580.45298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3C=NC(=C3C#N)C#N)O)Br)C)CSC4=CC=CC(=C4)OC

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3C=NC(=C3C#N)C#N)O)Br)C)CSC4=CC=CC(=C4)OC

InChI

InChI=1S/C26H22BrN5O4S/c1-4-36-26(34)24-22(13-37-16-7-5-6-15(8-16)35-3)31(2)20-9-18(27)25(33)17(23(20)24)12-32-14-30-19(10-28)21(32)11-29/h5-9,14,33H,4,12-13H2,1-3H3