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

Systemtic Name: 3-(5-bromanyl-2-prop-2-ynoxy-phenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid Openeye Name: 3-(5-bromo-2-prop-2-ynoxy-phenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid CAS Name: 3-(5-bromo-2-prop-2-ynoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-2-propenoic acid IUPAC Name: 3-(5-bromo-2-prop-2-ynoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid Traditional Name: 3-(5-bromo-2-propargyloxy-phenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]acrylic acid Formula: C15H12BrN3O3S MolecularWeight: 394.24308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SC(=CC2=C(C=CC(=C2)Br)OCC#C)C(=O)O

Isomeric SMILES

CC1=NC(=NN1)SC(=CC2=C(C=CC(=C2)Br)OCC#C)C(=O)O

InChI

InChI=1S/C15H12BrN3O3S/c1-3-6-22-12-5-4-11(16)7-10(12)8-13(14(20)21)23-15-17-9(2)18-19-15/h1,4-5,7-8H,6H2,2H3,(H,20,21)(H,17,18,19)