3-(3,5-dimethylphenyl)-2-[2-(1-methylpyrrol-2-yl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(3,5-dimethylphenyl)-2-[2-(1-methylpyrrol-2-yl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(3,5-dimethylphenyl)-2-[2-(1-methylpyrrol-2-yl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(3,5-dimethylphenyl)-2-[[2-(1-methyl-2-pyrrolyl)-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-(3,5-dimethylphenyl)-2-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 3-(3,5-dimethylphenyl)-2-[[2-keto-2-(1-methylpyrrol-2-yl)ethyl]thio]quinazolin-4-one Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC=CN4C)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC=CN4C)C

InChI

InChI=1S/C23H21N3O2S/c1-15-11-16(2)13-17(12-15)26-22(28)18-7-4-5-8-19(18)24-23(26)29-14-21(27)20-9-6-10-25(20)3/h4-13H,14H2,1-3H3