3-(2-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid

Systemtic Name: 3-(2-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid Openeye Name: 3-(4-benzyloxy-2-bromo-5-methoxy-phenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid CAS Name: 3-(2-bromo-5-methoxy-4-phenylmethoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-2-propenoic acid IUPAC Name: 3-(2-bromo-5-methoxy-4-phenylmethoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid Traditional Name: 3-(4-benzoxy-2-bromo-5-methoxy-phenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]acrylic acid Formula: C20H18BrN3O4S MolecularWeight: 476.34362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SC(=CC2=CC(=C(C=C2Br)OCC3=CC=CC=C3)OC)C(=O)O

Isomeric SMILES

CC1=NC(=NN1)SC(=CC2=CC(=C(C=C2Br)OCC3=CC=CC=C3)OC)C(=O)O

InChI

InChI=1S/C20H18BrN3O4S/c1-12-22-20(24-23-12)29-18(19(25)26)9-14-8-16(27-2)17(10-15(14)21)28-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,25,26)(H,22,23,24)