2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-4,6-dimethyl-benzenecarbonitrile

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-4,6-dimethyl-benzenecarbonitrile Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-4,6-dimethyl-benzonitrile CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-4,6-dimethylbenzonitrile IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-4,6-dimethylbenzonitrile Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-4,6-dimethyl-benzonitrile Formula: C21H25NOS MolecularWeight: 339.4943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)SCC(=O)C23CC4CC(C2)CC(C4)C3)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)SCC(=O)C23CC4CC(C2)CC(C4)C3)C#N)C

InChI

InChI=1S/C21H25NOS/c1-13-3-14(2)18(11-22)19(4-13)24-12-20(23)21-8-15-5-16(9-21)7-17(6-15)10-21/h3-4,15-17H,5-10,12H2,1-2H3