(E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate

Systemtic Name: (E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate Openeye Name: (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate CAS Name: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-2-propenoate IUPAC Name: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate Traditional Name: (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]acrylate Formula: C13H11BrN3O4S- MolecularWeight: 385.21314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SC(=CC2=CC(=C(C(=C2)Br)O)OC)C(=O)[O-]

Isomeric SMILES

CC1=NC(=NN1)S/C(=C/C2=CC(=C(C(=C2)Br)O)OC)/C(=O)[O-]

InChI

InChI=1S/C13H12BrN3O4S/c1-6-15-13(17-16-6)22-10(12(19)20)5-7-3-8(14)11(18)9(4-7)21-2/h3-5,18H,1-2H3,(H,19,20)(H,15,16,17)/p-1/b10-5+