ethyl 5-bromanyl-3-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 5-bromanyl-3-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-bromo-benzofuran-2-carboxylate CAS Name: 5-bromo-3-[[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-bromo-1-benzofuran-2-carboxylate Traditional Name: 3-[[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-5-bromo-coumarilic acid ethyl ester Formula: C24H22BrN3O3S MolecularWeight: 512.41878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CSC3=NN=C(N3CC4=CC=CC=C4)C5CC5

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CSC3=NN=C(N3CC4=CC=CC=C4)C5CC5

InChI

InChI=1S/C24H22BrN3O3S/c1-2-30-23(29)21-19(18-12-17(25)10-11-20(18)31-21)14-32-24-27-26-22(16-8-9-16)28(24)13-15-6-4-3-5-7-15/h3-7,10-12,16H,2,8-9,13-14H2,1H3