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

Systemtic Name: 2-[2-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-1H-quinazolin-4-one Openeye Name: 2-[2-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]sulfanyl-1H-quinazolin-4-one CAS Name: 2-[[2-[1-(2-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]thio]-1H-quinazolin-4-one IUPAC Name: 2-[2-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-1H-quinazolin-4-one Traditional Name: 2-[[2-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl]thio]-1H-quinazolin-4-one Formula: C22H18FN3O2S MolecularWeight: 407.460623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2F)C)C(=O)CSC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2F)C)C(=O)CSC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C22H18FN3O2S/c1-13-11-16(14(2)26(13)19-10-6-4-8-17(19)23)20(27)12-29-22-24-18-9-5-3-7-15(18)21(28)25-22/h3-11H,12H2,1-2H3,(H,24,25,28)