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

Systemtic Name: 3-(6-azanyl-3,5-dicyano-4-thiophen-3-yl-pyridin-2-yl)sulfanyl-N-(3-chloranyl-2-methyl-phenyl)propanamide Openeye Name: 3-[[6-amino-3,5-dicyano-4-(3-thienyl)-2-pyridyl]sulfanyl]-N-(3-chloro-2-methyl-phenyl)propanamide CAS Name: 3-[[6-amino-3,5-dicyano-4-(3-thiophenyl)-2-pyridinyl]thio]-N-(3-chloro-2-methylphenyl)propanamide IUPAC Name: 3-(6-amino-3,5-dicyano-4-thiophen-3-ylpyridin-2-yl)sulfanyl-N-(3-chloro-2-methylphenyl)propanamide Traditional Name: 3-[[6-amino-3,5-dicyano-4-(3-thienyl)-2-pyridyl]thio]-N-(3-chloro-2-methyl-phenyl)propionamide Formula: C21H16ClN5OS2 MolecularWeight: 453.96764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CCSC2=C(C(=C(C(=N2)N)C#N)C3=CSC=C3)C#N

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CCSC2=C(C(=C(C(=N2)N)C#N)C3=CSC=C3)C#N

InChI

InChI=1S/C21H16ClN5OS2/c1-12-16(22)3-2-4-17(12)26-18(28)6-8-30-21-15(10-24)19(13-5-7-29-11-13)14(9-23)20(25)27-21/h2-5,7,11H,6,8H2,1H3,(H2,25,27)(H,26,28)