methyl (E)-2-cyano-3-(pyridin-4-ylcarbothioylamino)prop-2-enoate

Systemtic Name: methyl (E)-2-cyano-3-(pyridin-4-ylcarbothioylamino)prop-2-enoate Openeye Name: methyl (E)-2-cyano-3-(pyridine-4-carbothioylamino)prop-2-enoate CAS Name: (E)-2-cyano-3-[[pyridin-4-yl(sulfanylidene)methyl]amino]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-cyano-3-(pyridine-4-carbothioylamino)prop-2-enoate Traditional Name: (E)-2-cyano-3-(pyridine-4-carbothioylamino)acrylic acid methyl ester Formula: C11H9N3O2S MolecularWeight: 247.27306

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CNC(=S)C1=CC=NC=C1)C#N

Isomeric SMILES

COC(=O)/C(=C/NC(=S)C1=CC=NC=C1)/C#N

InChI

InChI=1S/C11H9N3O2S/c1-16-11(15)9(6-12)7-14-10(17)8-2-4-13-5-3-8/h2-5,7H,1H3,(H,14,17)/b9-7+