3-(3-chloranyl-4-fluoranyl-phenyl)-2-[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(3-chloranyl-4-fluoranyl-phenyl)-2-[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 2-[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-3-(3-chloro-4-fluoro-phenyl)quinazolin-4-one CAS Name: 3-(3-chloro-4-fluorophenyl)-2-[[2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-(3-chloro-4-fluorophenyl)-2-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 2-[[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]thio]-3-(3-chloro-4-fluoro-phenyl)quinazolin-4-one Formula: C25H21ClFN3O2S MolecularWeight: 481.969543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C25H21ClFN3O2S/c1-4-11-29-15(2)12-19(16(29)3)23(31)14-33-25-28-22-8-6-5-7-18(22)24(32)30(25)17-9-10-21(27)20(26)13-17/h4-10,12-13H,1,11,14H2,2-3H3