2-[(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[(1-butyl-4,5-dimethyl-2-imidazolyl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[(1-butyl-4,5-dimethyl-imidazol-2-yl)thio]methyl]-1H-quinazolin-4-one Formula: C18H22N4OS MolecularWeight: 342.45848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N=C1SCC2=NC(=O)C3=CC=CC=C3N2)C)C

Isomeric SMILES

CCCCN1C(=C(N=C1SCC2=NC(=O)C3=CC=CC=C3N2)C)C

InChI

InChI=1S/C18H22N4OS/c1-4-5-10-22-13(3)12(2)19-18(22)24-11-16-20-15-9-7-6-8-14(15)17(23)21-16/h6-9H,4-5,10-11H2,1-3H3,(H,20,21,23)