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

Systemtic Name: ethyl (E)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)-3-thiophen-2-yl-prop-2-enoate Openeye Name: ethyl (E)-2-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]-3-(2-thienyl)prop-2-enoate CAS Name: (E)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)-3-thiophen-2-yl-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)-3-thiophen-2-ylprop-2-enoate Traditional Name: (E)-2-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]-3-(2-thienyl)acrylic acid ethyl ester Formula: C16H14N4O2S MolecularWeight: 326.37296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC=CS1)C2=NC(=NN2)C3=CC=NC=C3

Isomeric SMILES

CCOC(=O)/C(=C/C1=CC=CS1)/C2=NC(=NN2)C3=CC=NC=C3

InChI

InChI=1S/C16H14N4O2S/c1-2-22-16(21)13(10-12-4-3-9-23-12)15-18-14(19-20-15)11-5-7-17-8-6-11/h3-10H,2H2,1H3,(H,18,19,20)/b13-10+