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

Systemtic Name: 3-[6-azanyl-3,5-dicyano-4-(furan-2-yl)pyridin-2-yl]sulfanyl-N-(1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-[[6-amino-3,5-dicyano-4-(2-furyl)-2-pyridyl]sulfanyl]-N-(1,3-benzothiazol-2-yl)propanamide CAS Name: 3-[[6-amino-3,5-dicyano-4-(2-furanyl)-2-pyridinyl]thio]-N-(1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-[6-amino-3,5-dicyano-4-(furan-2-yl)pyridin-2-yl]sulfanyl-N-(1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-[[6-amino-3,5-dicyano-4-(2-furyl)-2-pyridyl]thio]-N-(1,3-benzothiazol-2-yl)propionamide Formula: C21H14N6O2S2 MolecularWeight: 446.50486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(=O)CCSC3=C(C(=C(C(=N3)N)C#N)C4=CC=CO4)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=O)CCSC3=C(C(=C(C(=N3)N)C#N)C4=CC=CO4)C#N

InChI

InChI=1S/C21H14N6O2S2/c22-10-12-18(15-5-3-8-29-15)13(11-23)20(27-19(12)24)30-9-7-17(28)26-21-25-14-4-1-2-6-16(14)31-21/h1-6,8H,7,9H2,(H2,24,27)(H,25,26,28)