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

Systemtic Name: (E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-thiophen-2-yl-prop-2-enoic acid Openeye Name: (E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-(2-thienyl)prop-2-enoic acid CAS Name: (E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-3-thiophen-2-yl-2-propenoic acid IUPAC Name: (E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-thiophen-2-ylprop-2-enoic acid Traditional Name: (E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-3-(2-thienyl)acrylic acid Formula: C10H9N3O2S2 MolecularWeight: 267.32736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SC(=CC2=CC=CS2)C(=O)O

Isomeric SMILES

CC1=NC(=NN1)S/C(=C/C2=CC=CS2)/C(=O)O

InChI

InChI=1S/C10H9N3O2S2/c1-6-11-10(13-12-6)17-8(9(14)15)5-7-3-2-4-16-7/h2-5H,1H3,(H,14,15)(H,11,12,13)/b8-5+