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

Systemtic Name: 7-chloranyl-2-[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(2-methylphenyl)quinazolin-4-one Openeye Name: 2-[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-7-chloro-3-(o-tolyl)quinazolin-4-one CAS Name: 7-chloro-2-[[2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl]thio]-3-(2-methylphenyl)-4-quinazolinone IUPAC Name: 7-chloro-2-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]sulfanyl-3-(2-methylphenyl)quinazolin-4-one Traditional Name: 2-[[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]thio]-7-chloro-3-(o-tolyl)quinazolin-4-one Formula: C26H24ClN3O2S MolecularWeight: 478.00566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)C4=C(N(C(=C4)C)CC=C)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)C4=C(N(C(=C4)C)CC=C)C

InChI

InChI=1S/C26H24ClN3O2S/c1-5-12-29-17(3)13-21(18(29)4)24(31)15-33-26-28-22-14-19(27)10-11-20(22)25(32)30(26)23-9-7-6-8-16(23)2/h5-11,13-14H,1,12,15H2,2-4H3