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

Systemtic Name: 3-[6-azanyl-3,5-dicyano-4-(4-ethylphenyl)pyridin-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridyl]sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridinyl]thio]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-[6-amino-3,5-dicyano-4-(4-ethylphenyl)pyridin-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridyl]thio]-N-(6-methyl-1,3-benzothiazol-2-yl)propionamide Formula: C26H22N6OS2 MolecularWeight: 498.62248

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=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

CCC1=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/C26H22N6OS2/c1-3-16-5-7-17(8-6-16)23-18(13-27)24(29)32-25(19(23)14-28)34-11-10-22(33)31-26-30-20-9-4-15(2)12-21(20)35-26/h4-9,12H,3,10-11H2,1-2H3,(H2,29,32)(H,30,31,33)