1-(1-adamantyl)-2-quinazolin-4-ylsulfanyl-propan-1-one

Systemtic Name: 1-(1-adamantyl)-2-quinazolin-4-ylsulfanyl-propan-1-one Openeye Name: 1-(1-adamantyl)-2-quinazolin-4-ylsulfanyl-propan-1-one CAS Name: 1-(1-adamantyl)-2-(4-quinazolinylthio)-1-propanone IUPAC Name: 1-(1-adamantyl)-2-quinazolin-4-ylsulfanylpropan-1-one Traditional Name: 1-(1-adamantyl)-2-(quinazolin-4-ylthio)propan-1-one Formula: C21H24N2OS MolecularWeight: 352.49306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)SC4=NC=NC5=CC=CC=C54

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)SC4=NC=NC5=CC=CC=C54

InChI

InChI=1S/C21H24N2OS/c1-13(25-20-17-4-2-3-5-18(17)22-12-23-20)19(24)21-9-14-6-15(10-21)8-16(7-14)11-21/h2-5,12-16H,6-11H2,1H3