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

Systemtic Name: 2-[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one Openeye Name: 2-[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one CAS Name: 2-[[2-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-oxoethyl]thio]-3-[(4-fluorophenyl)methyl]-4-quinazolinone IUPAC Name: 2-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]sulfanyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one Traditional Name: 2-[[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-keto-ethyl]thio]-3-(4-fluorobenzyl)quinazolin-4-one Formula: C26H26FN3O2S MolecularWeight: 463.566943

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)F)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)F)C

InChI

InChI=1S/C26H26FN3O2S/c1-4-13-29-17(2)14-22(18(29)3)24(31)16-33-26-28-23-8-6-5-7-21(23)25(32)30(26)15-19-9-11-20(27)12-10-19/h5-12,14H,4,13,15-16H2,1-3H3