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

Systemtic Name: 3-[6-azanyl-3,5-dicyano-4-(4-methylphenyl)pyridin-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-[[6-amino-3,5-dicyano-4-(p-tolyl)-2-pyridyl]sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]thio]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-[6-amino-3,5-dicyano-4-(4-methylphenyl)pyridin-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-[[6-amino-3,5-dicyano-4-(p-tolyl)-2-pyridyl]thio]-N-(6-methyl-1,3-benzothiazol-2-yl)propionamide Formula: C25H20N6OS2 MolecularWeight: 484.5959

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCCC(=O)NC3=NC4=C(S3)C=C(C=C4)C)N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCCC(=O)NC3=NC4=C(S3)C=C(C=C4)C)N)C#N

InChI

InChI=1S/C25H20N6OS2/c1-14-3-6-16(7-4-14)22-17(12-26)23(28)31-24(18(22)13-27)33-10-9-21(32)30-25-29-19-8-5-15(2)11-20(19)34-25/h3-8,11H,9-10H2,1-2H3,(H2,28,31)(H,29,30,32)