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

Systemtic Name: 2-[2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-2-[2-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 2-[[2-[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]-2-oxoethyl]thio]-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-[2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 3-benzyl-2-[[2-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]-2-keto-ethyl]thio]quinazolin-4-one Formula: C30H27N3O2S MolecularWeight: 493.61928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5)C

InChI

InChI=1S/C30H27N3O2S/c1-20-13-15-24(16-14-20)33-21(2)17-26(22(33)3)28(34)19-36-30-31-27-12-8-7-11-25(27)29(35)32(30)18-23-9-5-4-6-10-23/h4-17H,18-19H2,1-3H3