ethyl 3-[(4-azanyl-5-tert-butyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-bromanyl-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[(4-azanyl-5-tert-butyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-bromanyl-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-bromo-benzofuran-2-carboxylate CAS Name: 3-[[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)thio]methyl]-5-bromo-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-bromo-1-benzofuran-2-carboxylate Traditional Name: 3-[[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)thio]methyl]-5-bromo-coumarilic acid ethyl ester Formula: C18H21BrN4O3S MolecularWeight: 453.35334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CSC3=NN=C(N3N)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CSC3=NN=C(N3N)C(C)(C)C

InChI

InChI=1S/C18H21BrN4O3S/c1-5-25-15(24)14-12(11-8-10(19)6-7-13(11)26-14)9-27-17-22-21-16(23(17)20)18(2,3)4/h6-8H,5,9,20H2,1-4H3