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

Systemtic Name: 2-[2-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-3-(3-methylphenyl)quinazolin-4-one Openeye Name: 2-[2-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]sulfanyl-3-(m-tolyl)quinazolin-4-one CAS Name: 2-[[2-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]thio]-3-(3-methylphenyl)-4-quinazolinone IUPAC Name: 2-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-3-(3-methylphenyl)quinazolin-4-one Traditional Name: 2-[[2-keto-2-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]ethyl]thio]-3-(m-tolyl)quinazolin-4-one Formula: C26H27N3O3S MolecularWeight: 461.57588

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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)CCOC)C

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O3S/c1-17-8-7-9-20(14-17)29-25(31)21-10-5-6-11-23(21)27-26(29)33-16-24(30)22-15-18(2)28(19(22)3)12-13-32-4/h5-11,14-15H,12-13,16H2,1-4H3