2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-6-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-6-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-4-keto-6-(4-methoxyphenyl)-1H-pyrimidine-5-carbonitrile Formula: C24H25N3O3S MolecularWeight: 435.5386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)C34CC5CC(C3)CC(C5)C4)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)C34CC5CC(C3)CC(C5)C4)C#N

InChI

InChI=1S/C24H25N3O3S/c1-30-18-4-2-17(3-5-18)21-19(12-25)22(29)27-23(26-21)31-13-20(28)24-9-14-6-15(10-24)8-16(7-14)11-24/h2-5,14-16H,6-11,13H2,1H3,(H,26,27,29)