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

Systemtic Name: (Z)-3-(3-methoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid Openeye Name: (Z)-3-(3-methoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid CAS Name: (Z)-3-(3-methoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-2-propenoic acid IUPAC Name: (Z)-3-(3-methoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid Traditional Name: (Z)-3-(3-methoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]acrylic acid Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SC(=CC2=CC(=CC=C2)OC)C(=O)O

Isomeric SMILES

CC1=NC(=NN1)S/C(=C\C2=CC(=CC=C2)OC)/C(=O)O

InChI

InChI=1S/C13H13N3O3S/c1-8-14-13(16-15-8)20-11(12(17)18)7-9-4-3-5-10(6-9)19-2/h3-7H,1-2H3,(H,17,18)(H,14,15,16)/b11-7-