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

Systemtic Name: 3-[6-azanyl-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)pyridin-2-yl]sulfanyl-N-(4-iodophenyl)propanamide Openeye Name: 3-[[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)-2-pyridyl]sulfanyl]-N-(4-iodophenyl)propanamide CAS Name: 3-[[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]thio]-N-(4-iodophenyl)propanamide IUPAC Name: 3-[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)pyridin-2-yl]sulfanyl-N-(4-iodophenyl)propanamide Traditional Name: 3-[[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)-2-pyridyl]thio]-N-(4-iodophenyl)propionamide Formula: C25H22IN5O4S MolecularWeight: 615.44275

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(C(=NC(=C2C#N)SCCC(=O)NC3=CC=C(C=C3)I)N)C#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(C(=NC(=C2C#N)SCCC(=O)NC3=CC=C(C=C3)I)N)C#N

InChI

InChI=1S/C25H22IN5O4S/c1-33-19-10-14(11-20(34-2)23(19)35-3)22-17(12-27)24(29)31-25(18(22)13-28)36-9-8-21(32)30-16-6-4-15(26)5-7-16/h4-7,10-11H,8-9H2,1-3H3,(H2,29,31)(H,30,32)