2-[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(4-fluorophenyl)quinazolin-4-one

Systemtic Name: 2-[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(4-fluorophenyl)quinazolin-4-one Openeye Name: 2-[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-3-(4-fluorophenyl)quinazolin-4-one CAS Name: 2-[[2-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-oxoethyl]thio]-3-(4-fluorophenyl)-4-quinazolinone IUPAC Name: 2-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]sulfanyl-3-(4-fluorophenyl)quinazolin-4-one Traditional Name: 2-[[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-keto-ethyl]thio]-3-(4-fluorophenyl)quinazolin-4-one Formula: C25H24FN3O2S MolecularWeight: 449.540363

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F)C

InChI

InChI=1S/C25H24FN3O2S/c1-4-13-28-16(2)14-21(17(28)3)23(30)15-32-25-27-22-8-6-5-7-20(22)24(31)29(25)19-11-9-18(26)10-12-19/h5-12,14H,4,13,15H2,1-3H3