2-[6-azanyl-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)pyridin-2-yl]sulfanyl-N-pyridin-4-yl-butanamide

Systemtic Name: 2-[6-azanyl-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)pyridin-2-yl]sulfanyl-N-pyridin-4-yl-butanamide Openeye Name: 2-[[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)-2-pyridyl]sulfanyl]-N-(4-pyridyl)butanamide CAS Name: 2-[[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]thio]-N-pyridin-4-ylbutanamide IUPAC Name: 2-[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)pyridin-2-yl]sulfanyl-N-pyridin-4-ylbutanamide Traditional Name: 2-[[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)-2-pyridyl]thio]-N-(4-pyridyl)butyramide Formula: C25H24N6O4S MolecularWeight: 504.56086

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=NC=C1)SC2=C(C(=C(C(=N2)N)C#N)C3=CC(=C(C(=C3)OC)OC)OC)C#N

Isomeric SMILES

CCC(C(=O)NC1=CC=NC=C1)SC2=C(C(=C(C(=N2)N)C#N)C3=CC(=C(C(=C3)OC)OC)OC)C#N

InChI

InChI=1S/C25H24N6O4S/c1-5-20(24(32)30-15-6-8-29-9-7-15)36-25-17(13-27)21(16(12-26)23(28)31-25)14-10-18(33-2)22(35-4)19(11-14)34-3/h6-11,20H,5H2,1-4H3,(H2,28,31)(H,29,30,32)