3-(6-azanyl-3,5-dicyano-4-propan-2-yl-pyridin-2-yl)sulfanyl-N-(1,3-benzothiazol-2-yl)propanamide

Systemtic Name: 3-(6-azanyl-3,5-dicyano-4-propan-2-yl-pyridin-2-yl)sulfanyl-N-(1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-[(6-amino-3,5-dicyano-4-isopropyl-2-pyridyl)sulfanyl]-N-(1,3-benzothiazol-2-yl)propanamide CAS Name: 3-[(6-amino-3,5-dicyano-4-propan-2-yl-2-pyridinyl)thio]-N-(1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-(6-amino-3,5-dicyano-4-propan-2-ylpyridin-2-yl)sulfanyl-N-(1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-[(6-amino-3,5-dicyano-4-isopropyl-2-pyridyl)thio]-N-(1,3-benzothiazol-2-yl)propionamide Formula: C20H18N6OS2 MolecularWeight: 422.52652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=NC(=C1C#N)SCCC(=O)NC2=NC3=CC=CC=C3S2)N)C#N

Isomeric SMILES

CC(C)C1=C(C(=NC(=C1C#N)SCCC(=O)NC2=NC3=CC=CC=C3S2)N)C#N

InChI

InChI=1S/C20H18N6OS2/c1-11(2)17-12(9-21)18(23)26-19(13(17)10-22)28-8-7-16(27)25-20-24-14-5-3-4-6-15(14)29-20/h3-6,11H,7-8H2,1-2H3,(H2,23,26)(H,24,25,27)