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

Systemtic Name: (E)-3-(3-bromanyl-4-methoxy-phenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate Openeye Name: (E)-3-(3-bromo-4-methoxy-phenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate CAS Name: (E)-3-(3-bromo-4-methoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-2-propenoate IUPAC Name: (E)-3-(3-bromo-4-methoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate Traditional Name: (E)-3-(3-bromo-4-methoxy-phenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]acrylate Formula: C13H11BrN3O3S- MolecularWeight: 369.21374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12BrN3O3S/c1-7-15-13(17-16-7)21-11(12(18)19)6-8-3-4-10(20-2)9(14)5-8/h3-6H,1-2H3,(H,18,19)(H,15,16,17)/p-1/b11-6+