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

Systemtic Name: 3-(3,5-dimethylphenyl)-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-(3,5-dimethylphenyl)quinazolin-4-one CAS Name: 3-(3,5-dimethylphenyl)-2-[[2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-(3,5-dimethylphenyl)-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-(3,5-dimethylphenyl)quinazolin-4-one Formula: C27H27N3O2S MolecularWeight: 457.58718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=C(N(C(=C4)C)CC=C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=C(N(C(=C4)C)CC=C)C)C

InChI

InChI=1S/C27H27N3O2S/c1-6-11-29-19(4)15-23(20(29)5)25(31)16-33-27-28-24-10-8-7-9-22(24)26(32)30(27)21-13-17(2)12-18(3)14-21/h6-10,12-15H,1,11,16H2,2-5H3