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

Systemtic Name: 3-(3-bromanyl-4-methyl-phenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid Openeye Name: 3-(3-bromo-4-methyl-phenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid CAS Name: 3-(3-bromo-4-methylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-2-propenoic acid IUPAC Name: 3-(3-bromo-4-methylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid Traditional Name: 3-(3-bromo-4-methyl-phenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]acrylic acid Formula: C13H12BrN3O2S MolecularWeight: 354.22228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=C(C(=O)O)SC2=NNC(=N2)C)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C=C(C(=O)O)SC2=NNC(=N2)C)Br

InChI

InChI=1S/C13H12BrN3O2S/c1-7-3-4-9(5-10(7)14)6-11(12(18)19)20-13-15-8(2)16-17-13/h3-6H,1-2H3,(H,18,19)(H,15,16,17)