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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=C(N(C(=C3)C)C4=CC=C(C=C4)F)C

Isomeric SMILES

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=C(N(C(=C3)C)C4=CC=C(C=C4)F)C

InChI

InChI=1S/C26H26FN3O2S/c1-5-16(2)30-25(32)21-8-6-7-9-23(21)28-26(30)33-15-24(31)22-14-17(3)29(18(22)4)20-12-10-19(27)11-13-20/h6-14,16H,5,15H2,1-4H3