2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-3,6-dimethyl-quinazolin-4-one

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-3,6-dimethyl-quinazolin-4-one Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-3,6-dimethyl-quinazolin-4-one CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-3,6-dimethyl-4-quinazolinone IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-3,6-dimethylquinazolin-4-one Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-3,6-dimethyl-quinazolin-4-one Formula: C22H26N2O2S MolecularWeight: 382.51904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N(C2=O)C)SCC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N(C2=O)C)SCC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H26N2O2S/c1-13-3-4-18-17(5-13)20(26)24(2)21(23-18)27-12-19(25)22-9-14-6-15(10-22)8-16(7-14)11-22/h3-5,14-16H,6-12H2,1-2H3