ethyl 2-[(E)-2-cyano-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1-phenylazanyl-ethenyl]sulfanylethanoate

Systemtic Name: ethyl 2-[(E)-2-cyano-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1-phenylazanyl-ethenyl]sulfanylethanoate Openeye Name: ethyl 2-[(E)-1-anilino-2-cyano-2-(1H-imidazo[4,5-b]pyridin-2-yl)vinyl]sulfanylacetate CAS Name: 2-[[(E)-1-anilino-2-cyano-2-(1H-imidazo[4,5-b]pyridin-2-yl)ethenyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(E)-1-anilino-2-cyano-2-(1H-imidazo[4,5-b]pyridin-2-yl)ethenyl]sulfanylacetate Traditional Name: 2-[[(E)-1-anilino-2-cyano-2-(1H-imidazo[4,5-b]pyridin-2-yl)vinyl]thio]acetic acid ethyl ester Formula: C19H17N5O2S MolecularWeight: 379.43558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC(=C(C#N)C1=NC2=C(N1)C=CC=N2)NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CS/C(=C(\C#N)/C1=NC2=C(N1)C=CC=N2)/NC3=CC=CC=C3

InChI

InChI=1S/C19H17N5O2S/c1-2-26-16(25)12-27-19(22-13-7-4-3-5-8-13)14(11-20)17-23-15-9-6-10-21-18(15)24-17/h3-10,22H,2,12H2,1H3,(H,21,23,24)/b19-14+