3-[6-azanyl-3,5-dicyano-4-(4-ethylphenyl)pyridin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)propanamide

Systemtic Name: 3-[6-azanyl-3,5-dicyano-4-(4-ethylphenyl)pyridin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)propanamide Openeye Name: 3-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridyl]sulfanyl]-N-thiazol-2-yl-propanamide CAS Name: 3-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridinyl]thio]-N-(2-thiazolyl)propanamide IUPAC Name: 3-[6-amino-3,5-dicyano-4-(4-ethylphenyl)pyridin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)propanamide Traditional Name: 3-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridyl]thio]-N-thiazol-2-yl-propionamide Formula: C21H18N6OS2 MolecularWeight: 434.53722

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCCC(=O)NC3=NC=CS3)N)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCCC(=O)NC3=NC=CS3)N)C#N

InChI

InChI=1S/C21H18N6OS2/c1-2-13-3-5-14(6-4-13)18-15(11-22)19(24)27-20(16(18)12-23)29-9-7-17(28)26-21-25-8-10-30-21/h3-6,8,10H,2,7,9H2,1H3,(H2,24,27)(H,25,26,28)