3-[(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]-4-methoxy-benzaldehyde

Systemtic Name: 3-[(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]-4-methoxy-benzaldehyde Openeye Name: 3-[(3-butyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]-4-methoxy-benzaldehyde CAS Name: 3-[[(3-butyl-4-oxo-2-quinazolinyl)thio]methyl]-4-methoxybenzaldehyde IUPAC Name: 3-[(3-butyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-4-methoxybenzaldehyde Traditional Name: 3-[[(3-butyl-4-keto-quinazolin-2-yl)thio]methyl]-4-methoxy-benzaldehyde Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=C(C=CC(=C3)C=O)OC

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=C(C=CC(=C3)C=O)OC

InChI

InChI=1S/C21H22N2O3S/c1-3-4-11-23-20(25)17-7-5-6-8-18(17)22-21(23)27-14-16-12-15(13-24)9-10-19(16)26-2/h5-10,12-13H,3-4,11,14H2,1-2H3