2-[(1S)-1-(1-adamantylsulfanyl)ethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(1S)-1-(1-adamantylsulfanyl)ethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1S)-1-(1-adamantylsulfanyl)ethyl]-1H-quinazolin-4-one CAS Name: 2-[(1S)-1-(1-adamantylthio)ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1S)-1-(1-adamantylsulfanyl)ethyl]-1H-quinazolin-4-one Traditional Name: 2-[(1S)-1-(1-adamantylthio)ethyl]-1H-quinazolin-4-one Formula: C20H24N2OS MolecularWeight: 340.48236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)SC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[C@@H](C1=NC(=O)C2=CC=CC=C2N1)SC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C20H24N2OS/c1-12(18-21-17-5-3-2-4-16(17)19(23)22-18)24-20-9-13-6-14(10-20)8-15(7-13)11-20/h2-5,12-15H,6-11H2,1H3,(H,21,22,23)/t12-,13?,14?,15?,20?/m0/s1