2-[2-(1-adamantylsulfanylmethyl)-4-oxidanylidene-quinazolin-3-yl]ethanenitrile

Systemtic Name: 2-[2-(1-adamantylsulfanylmethyl)-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-(1-adamantylsulfanylmethyl)-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-[(1-adamantylthio)methyl]-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-(1-adamantylsulfanylmethyl)-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[2-[(1-adamantylthio)methyl]-4-keto-quinazolin-3-yl]acetonitrile Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)SCC4=NC5=CC=CC=C5C(=O)N4CC#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)SCC4=NC5=CC=CC=C5C(=O)N4CC#N

InChI

InChI=1S/C21H23N3OS/c22-5-6-24-19(23-18-4-2-1-3-17(18)20(24)25)13-26-21-10-14-7-15(11-21)9-16(8-14)12-21/h1-4,14-16H,6-13H2