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

Systemtic Name: 7-chloranyl-2-[2-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one Openeye Name: 7-chloro-2-[2-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]sulfanyl-3-isobutyl-quinazolin-4-one CAS Name: 7-chloro-2-[[2-[1-(4-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]thio]-3-(2-methylpropyl)-4-quinazolinone IUPAC Name: 7-chloro-2-[2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one Traditional Name: 7-chloro-2-[[2-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl]thio]-3-isobutyl-quinazolin-4-one Formula: C26H25ClFN3O2S MolecularWeight: 498.012003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)CSC3=NC4=C(C=CC(=C4)Cl)C(=O)N3CC(C)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)CSC3=NC4=C(C=CC(=C4)Cl)C(=O)N3CC(C)C

InChI

InChI=1S/C26H25ClFN3O2S/c1-15(2)13-30-25(33)21-10-5-18(27)12-23(21)29-26(30)34-14-24(32)22-11-16(3)31(17(22)4)20-8-6-19(28)7-9-20/h5-12,15H,13-14H2,1-4H3