(2R)-2-(6-azanyl-3,5-dicyano-pyridin-2-yl)sulfanyl-N-(3-chloranyl-4-methoxy-phenyl)propanamide

Systemtic Name: (2R)-2-(6-azanyl-3,5-dicyano-pyridin-2-yl)sulfanyl-N-(3-chloranyl-4-methoxy-phenyl)propanamide Openeye Name: (2R)-2-[(6-amino-3,5-dicyano-2-pyridyl)sulfanyl]-N-(3-chloro-4-methoxy-phenyl)propanamide CAS Name: (2R)-2-[(6-amino-3,5-dicyano-2-pyridinyl)thio]-N-(3-chloro-4-methoxyphenyl)propanamide IUPAC Name: (2R)-2-(6-amino-3,5-dicyanopyridin-2-yl)sulfanyl-N-(3-chloro-4-methoxyphenyl)propanamide Traditional Name: (2R)-2-[(6-amino-3,5-dicyano-2-pyridyl)thio]-N-(3-chloro-4-methoxy-phenyl)propionamide Formula: C17H14ClN5O2S MolecularWeight: 387.84336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)OC)Cl)SC2=C(C=C(C(=N2)N)C#N)C#N

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=C(C=C1)OC)Cl)SC2=C(C=C(C(=N2)N)C#N)C#N

InChI

InChI=1S/C17H14ClN5O2S/c1-9(16(24)22-12-3-4-14(25-2)13(18)6-12)26-17-11(8-20)5-10(7-19)15(21)23-17/h3-6,9H,1-2H3,(H2,21,23)(H,22,24)/t9-/m1/s1