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

Systemtic Name: 2-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(2-methylphenyl)quinazolin-4-one Openeye Name: 2-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-3-(o-tolyl)quinazolin-4-one CAS Name: 2-[[2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-oxoethyl]thio]-3-(2-methylphenyl)-4-quinazolinone IUPAC Name: 2-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl]sulfanyl-3-(2-methylphenyl)quinazolin-4-one Traditional Name: 2-[[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-keto-ethyl]thio]-3-(o-tolyl)quinazolin-4-one Formula: C29H25N3O2S MolecularWeight: 479.5927

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=C(N(C(=C4)C)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=C(N(C(=C4)C)C5=CC=CC=C5)C

InChI

InChI=1S/C29H25N3O2S/c1-19-11-7-10-16-26(19)32-28(34)23-14-8-9-15-25(23)30-29(32)35-18-27(33)24-17-20(2)31(21(24)3)22-12-5-4-6-13-22/h4-17H,18H2,1-3H3