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

Systemtic Name: 3-(3-bromanyl-4-ethoxy-phenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid Openeye Name: 3-(3-bromo-4-ethoxy-phenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid CAS Name: 3-(3-bromo-4-ethoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-2-propenoic acid IUPAC Name: 3-(3-bromo-4-ethoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid Traditional Name: 3-(3-bromo-4-ethoxy-phenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]acrylic acid Formula: C14H14BrN3O3S MolecularWeight: 384.24826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14BrN3O3S/c1-3-21-11-5-4-9(6-10(11)15)7-12(13(19)20)22-14-16-8(2)17-18-14/h4-7H,3H2,1-2H3,(H,19,20)(H,16,17,18)