3-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanylpropanoate

Systemtic Name: 3-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanylpropanoate Openeye Name: 3-[(3-cyano-4,6-diphenyl-2-pyridyl)sulfanyl]propanoate CAS Name: 3-[(3-cyano-4,6-diphenyl-2-pyridinyl)thio]propanoate IUPAC Name: 3-(3-cyano-4,6-diphenylpyridin-2-yl)sulfanylpropanoate Traditional Name: 3-[(3-cyano-4,6-diphenyl-2-pyridyl)thio]propionate Formula: C21H15N2O2S- MolecularWeight: 359.421

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCCC(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCCC(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C21H16N2O2S/c22-14-18-17(15-7-3-1-4-8-15)13-19(16-9-5-2-6-10-16)23-21(18)26-12-11-20(24)25/h1-10,13H,11-12H2,(H,24,25)/p-1