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

Systemtic Name: 3-(3-bromanyl-5-ethoxy-4-methoxy-phenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid Openeye Name: 3-(3-bromo-5-ethoxy-4-methoxy-phenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid CAS Name: 3-(3-bromo-5-ethoxy-4-methoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-2-propenoic acid IUPAC Name: 3-(3-bromo-5-ethoxy-4-methoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid Traditional Name: 3-(3-bromo-5-ethoxy-4-methoxy-phenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]acrylic acid Formula: C15H16BrN3O4S MolecularWeight: 414.27424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C(=O)O)SC2=NNC(=N2)C)Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C(C(=O)O)SC2=NNC(=N2)C)Br)OC

InChI

InChI=1S/C15H16BrN3O4S/c1-4-23-11-6-9(5-10(16)13(11)22-3)7-12(14(20)21)24-15-17-8(2)18-19-15/h5-7H,4H2,1-3H3,(H,20,21)(H,17,18,19)