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

Systemtic Name: 2-[6-azanyl-3,5-dicyano-4-(furan-2-yl)pyridin-2-yl]sulfanyl-N-(5-chloranyl-2-methoxy-phenyl)propanamide Openeye Name: 2-[[6-amino-3,5-dicyano-4-(2-furyl)-2-pyridyl]sulfanyl]-N-(5-chloro-2-methoxy-phenyl)propanamide CAS Name: 2-[[6-amino-3,5-dicyano-4-(2-furanyl)-2-pyridinyl]thio]-N-(5-chloro-2-methoxyphenyl)propanamide IUPAC Name: 2-[6-amino-3,5-dicyano-4-(furan-2-yl)pyridin-2-yl]sulfanyl-N-(5-chloro-2-methoxyphenyl)propanamide Traditional Name: 2-[[6-amino-3,5-dicyano-4-(2-furyl)-2-pyridyl]thio]-N-(5-chloro-2-methoxy-phenyl)propionamide Formula: C21H16ClN5O3S MolecularWeight: 453.90144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)Cl)OC)SC2=C(C(=C(C(=N2)N)C#N)C3=CC=CO3)C#N

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)Cl)OC)SC2=C(C(=C(C(=N2)N)C#N)C3=CC=CO3)C#N

InChI

InChI=1S/C21H16ClN5O3S/c1-11(20(28)26-15-8-12(22)5-6-16(15)29-2)31-21-14(10-24)18(17-4-3-7-30-17)13(9-23)19(25)27-21/h3-8,11H,1-2H3,(H2,25,27)(H,26,28)