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

Systemtic Name: 7-chloranyl-2-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-methylbutyl)quinazolin-4-one Openeye Name: 7-chloro-2-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-3-isopentyl-quinazolin-4-one CAS Name: 7-chloro-2-[[2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-oxoethyl]thio]-3-(3-methylbutyl)-4-quinazolinone IUPAC Name: 7-chloro-2-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl]sulfanyl-3-(3-methylbutyl)quinazolin-4-one Traditional Name: 7-chloro-2-[[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-keto-ethyl]thio]-3-isoamyl-quinazolin-4-one Formula: C27H28ClN3O2S MolecularWeight: 494.04812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)CSC3=NC4=C(C=CC(=C4)Cl)C(=O)N3CCC(C)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)CSC3=NC4=C(C=CC(=C4)Cl)C(=O)N3CCC(C)C

InChI

InChI=1S/C27H28ClN3O2S/c1-17(2)12-13-30-26(33)22-11-10-20(28)15-24(22)29-27(30)34-16-25(32)23-14-18(3)31(19(23)4)21-8-6-5-7-9-21/h5-11,14-15,17H,12-13,16H2,1-4H3