(E)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)-3-thiophen-2-yl-prop-2-enoic acid

Systemtic Name: (E)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)-3-thiophen-2-yl-prop-2-enoic acid Openeye Name: (E)-2-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]-3-(2-thienyl)prop-2-enoic acid CAS Name: (E)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)-3-thiophen-2-yl-2-propenoic acid IUPAC Name: (E)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)-3-thiophen-2-ylprop-2-enoic acid Traditional Name: (E)-2-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]-3-(2-thienyl)acrylic acid Formula: C14H10N4O2S MolecularWeight: 298.3198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C=C(C2=NC(=NN2)C3=CC=NC=C3)C(=O)O

Isomeric SMILES

C1=CSC(=C1)/C=C(\C2=NC(=NN2)C3=CC=NC=C3)/C(=O)O

InChI

InChI=1S/C14H10N4O2S/c19-14(20)11(8-10-2-1-7-21-10)13-16-12(17-18-13)9-3-5-15-6-4-9/h1-8H,(H,19,20)(H,16,17,18)/b11-8+