(E)-3-(4-methylsulfanylphenyl)-2-(4-oxidanylidene-1H-pyrido[2,3-d]pyrimidin-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-(4-methylsulfanylphenyl)-2-(4-oxidanylidene-1H-pyrido[2,3-d]pyrimidin-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(4-methylsulfanylphenyl)-2-(4-oxo-1H-pyrido[2,3-d]pyrimidin-2-yl)prop-2-enenitrile CAS Name: (E)-3-[4-(methylthio)phenyl]-2-(4-oxo-1H-pyrido[2,3-d]pyrimidin-2-yl)-2-propenenitrile IUPAC Name: (E)-3-(4-methylsulfanylphenyl)-2-(4-oxo-1H-pyrido[2,3-d]pyrimidin-2-yl)prop-2-enenitrile Traditional Name: (E)-2-(4-keto-1H-pyrido[2,3-d]pyrimidin-2-yl)-3-[4-(methylthio)phenyl]acrylonitrile Formula: C17H12N4OS MolecularWeight: 320.36838

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=C(C#N)C2=NC(=O)C3=C(N2)N=CC=C3

Isomeric SMILES

CSC1=CC=C(C=C1)/C=C(\C#N)/C2=NC(=O)C3=C(N2)N=CC=C3

InChI

InChI=1S/C17H12N4OS/c1-23-13-6-4-11(5-7-13)9-12(10-18)15-20-16-14(17(22)21-15)3-2-8-19-16/h2-9H,1H3,(H,19,20,21,22)/b12-9+