2-(1-adamantylsulfanylmethyl)-1H-quinazolin-4-one

Systemtic Name: 2-(1-adamantylsulfanylmethyl)-1H-quinazolin-4-one Openeye Name: 2-(1-adamantylsulfanylmethyl)-1H-quinazolin-4-one CAS Name: 2-[(1-adamantylthio)methyl]-1H-quinazolin-4-one IUPAC Name: 2-(1-adamantylsulfanylmethyl)-1H-quinazolin-4-one Traditional Name: 2-[(1-adamantylthio)methyl]-1H-quinazolin-4-one Formula: C19H22N2OS MolecularWeight: 326.45578

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)SCC4=NC(=O)C5=CC=CC=C5N4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)SCC4=NC(=O)C5=CC=CC=C5N4

InChI

InChI=1S/C19H22N2OS/c22-18-15-3-1-2-4-16(15)20-17(21-18)11-23-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14H,5-11H2,(H,20,21,22)