2-[2-(4-ethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(1-oxidanylbutan-2-yl)quinazolin-4-one

Systemtic Name: 2-[2-(4-ethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(1-oxidanylbutan-2-yl)quinazolin-4-one Openeye Name: 2-[2-(4-ethylphenyl)-2-oxo-ethyl]sulfanyl-3-[1-(hydroxymethyl)propyl]quinazolin-4-one CAS Name: 2-[[2-(4-ethylphenyl)-2-oxoethyl]thio]-3-(1-hydroxybutan-2-yl)-4-quinazolinone IUPAC Name: 2-[2-(4-ethylphenyl)-2-oxoethyl]sulfanyl-3-(1-hydroxybutan-2-yl)quinazolin-4-one Traditional Name: 2-[[2-(4-ethylphenyl)-2-keto-ethyl]thio]-3-(1-methylolpropyl)quinazolin-4-one Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C(CC)CO

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C(CC)CO

InChI

InChI=1S/C22H24N2O3S/c1-3-15-9-11-16(12-10-15)20(26)14-28-22-23-19-8-6-5-7-18(19)21(27)24(22)17(4-2)13-25/h5-12,17,25H,3-4,13-14H2,1-2H3