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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-3-(3-cyano-6-methyl-pyridin-2-yl)sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-3-[(3-cyano-6-methyl-2-pyridyl)sulfanyl]propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-3-[(3-cyano-6-methyl-2-pyridinyl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-3-(3-cyano-6-methylpyridin-2-yl)sulfanylpropanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-3-[(3-cyano-6-methyl-2-pyridyl)thio]propionamide Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C#N)SCCC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=NC(=C(C=C1)C#N)SCCC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H15N3O3S/c1-11-2-3-12(9-18)17(19-11)24-7-6-16(21)20-13-4-5-14-15(8-13)23-10-22-14/h2-5,8H,6-7,10H2,1H3,(H,20,21)