(E)-3-(1-ethylpyrazol-4-yl)-N-[[4-(furan-2-yl)pyrimidin-2-yl]carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(1-ethylpyrazol-4-yl)-N-[[4-(furan-2-yl)pyrimidin-2-yl]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(1-ethylpyrazol-4-yl)-N-[[4-(2-furyl)pyrimidin-2-yl]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(1-ethyl-4-pyrazolyl)-N-[[[4-(2-furanyl)-2-pyrimidinyl]amino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(1-ethylpyrazol-4-yl)-N-[[4-(furan-2-yl)pyrimidin-2-yl]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(1-ethylpyrazol-4-yl)-N-[[4-(2-furyl)pyrimidin-2-yl]thiocarbamoyl]acrylamide Formula: C17H16N6O2S MolecularWeight: 368.41294

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C=CC(=O)NC(=S)NC2=NC=CC(=N2)C3=CC=CO3

Isomeric SMILES

CCN1C=C(C=N1)/C=C/C(=O)NC(=S)NC2=NC=CC(=N2)C3=CC=CO3

InChI

InChI=1S/C17H16N6O2S/c1-2-23-11-12(10-19-23)5-6-15(24)21-17(26)22-16-18-8-7-13(20-16)14-4-3-9-25-14/h3-11H,2H2,1H3,(H2,18,20,21,22,24,26)/b6-5+