2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C23H28N2OS MolecularWeight: 380.54622

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(C(=N2)SCC(=O)C34CC5CC(C3)CC(C5)C4)C#N

Isomeric SMILES

CC1CCC2=C(C1)C=C(C(=N2)SCC(=O)C34CC5CC(C3)CC(C5)C4)C#N

InChI

InChI=1S/C23H28N2OS/c1-14-2-3-20-18(4-14)8-19(12-24)22(25-20)27-13-21(26)23-9-15-5-16(10-23)7-17(6-15)11-23/h8,14-17H,2-7,9-11,13H2,1H3