2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-6-azanyl-4-(3,4,5-trimethoxyphenyl)pyridine-3,5-dicarbonitrile

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-6-azanyl-4-(3,4,5-trimethoxyphenyl)pyridine-3,5-dicarbonitrile Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-6-amino-4-(3,4,5-trimethoxyphenyl)pyridine-3,5-dicarbonitrile CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-6-amino-4-(3,4,5-trimethoxyphenyl)pyridine-3,5-dicarbonitrile IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-6-amino-4-(3,4,5-trimethoxyphenyl)pyridine-3,5-dicarbonitrile Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-6-amino-4-(3,4,5-trimethoxyphenyl)dinicotinonitrile Formula: C28H30N4O4S MolecularWeight: 518.6272

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(C(=NC(=C2C#N)SCC(=O)C34CC5CC(C3)CC(C5)C4)N)C#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(C(=NC(=C2C#N)SCC(=O)C34CC5CC(C3)CC(C5)C4)N)C#N

InChI

InChI=1S/C28H30N4O4S/c1-34-21-7-18(8-22(35-2)25(21)36-3)24-19(12-29)26(31)32-27(20(24)13-30)37-14-23(33)28-9-15-4-16(10-28)6-17(5-15)11-28/h7-8,15-17H,4-6,9-11,14H2,1-3H3,(H2,31,32)