N-(1,3-benzodioxol-5-yl)-3-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-3-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-3-[(3-cyano-4,6-diphenyl-2-pyridyl)sulfanyl]propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-3-[(3-cyano-4,6-diphenyl-2-pyridinyl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-3-(3-cyano-4,6-diphenylpyridin-2-yl)sulfanylpropanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-3-[(3-cyano-4,6-diphenyl-2-pyridyl)thio]propionamide Formula: C28H21N3O3S MolecularWeight: 479.54964

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CCSC3=C(C(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CCSC3=C(C(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5)C#N

InChI

InChI=1S/C28H21N3O3S/c29-17-23-22(19-7-3-1-4-8-19)16-24(20-9-5-2-6-10-20)31-28(23)35-14-13-27(32)30-21-11-12-25-26(15-21)34-18-33-25/h1-12,15-16H,13-14,18H2,(H,30,32)