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

Systemtic Name: 2-[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(3,4-dimethylphenyl)quinazolin-4-one Openeye Name: 2-[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-3-(3,4-dimethylphenyl)quinazolin-4-one CAS Name: 2-[[2-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl]thio]-3-(3,4-dimethylphenyl)-4-quinazolinone IUPAC Name: 2-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]sulfanyl-3-(3,4-dimethylphenyl)quinazolin-4-one Traditional Name: 2-[[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]thio]-3-(3,4-dimethylphenyl)quinazolin-4-one Formula: C27H27N3O2S MolecularWeight: 457.58718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=C(N(C(=C4)C)C5CC5)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=C(N(C(=C4)C)C5CC5)C)C

InChI

InChI=1S/C27H27N3O2S/c1-16-9-10-21(13-17(16)2)30-26(32)22-7-5-6-8-24(22)28-27(30)33-15-25(31)23-14-18(3)29(19(23)4)20-11-12-20/h5-10,13-14,20H,11-12,15H2,1-4H3