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

Systemtic Name: ethyl 5-bromanyl-3-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 5-bromo-3-[[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-[[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]methyl]coumarilic acid ethyl ester Formula: C17H16BrN3O3S MolecularWeight: 422.29624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CSC3=NNC(=N3)C4CC4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CSC3=NNC(=N3)C4CC4

InChI

InChI=1S/C17H16BrN3O3S/c1-2-23-16(22)14-12(11-7-10(18)5-6-13(11)24-14)8-25-17-19-15(20-21-17)9-3-4-9/h5-7,9H,2-4,8H2,1H3,(H,19,20,21)