(2R)-2-(6-azanyl-3,5-dicyano-pyridin-2-yl)sulfanyl-N-(1,3-benzodioxol-5-yl)propanamide

Systemtic Name: (2R)-2-(6-azanyl-3,5-dicyano-pyridin-2-yl)sulfanyl-N-(1,3-benzodioxol-5-yl)propanamide Openeye Name: (2R)-2-[(6-amino-3,5-dicyano-2-pyridyl)sulfanyl]-N-(1,3-benzodioxol-5-yl)propanamide CAS Name: (2R)-2-[(6-amino-3,5-dicyano-2-pyridinyl)thio]-N-(1,3-benzodioxol-5-yl)propanamide IUPAC Name: (2R)-2-(6-amino-3,5-dicyanopyridin-2-yl)sulfanyl-N-(1,3-benzodioxol-5-yl)propanamide Traditional Name: (2R)-2-[(6-amino-3,5-dicyano-2-pyridyl)thio]-N-(1,3-benzodioxol-5-yl)propionamide Formula: C17H13N5O3S MolecularWeight: 367.38182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=C(C=C(C(=N3)N)C#N)C#N

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)SC3=C(C=C(C(=N3)N)C#N)C#N

InChI

InChI=1S/C17H13N5O3S/c1-9(26-17-11(7-19)4-10(6-18)15(20)22-17)16(23)21-12-2-3-13-14(5-12)25-8-24-13/h2-5,9H,8H2,1H3,(H2,20,22)(H,21,23)/t9-/m1/s1