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

Systemtic Name: 3-butyl-2-[2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-butyl-2-[2-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-butyl-2-[[2-[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-butyl-2-[2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 3-butyl-2-[[2-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]-2-keto-ethyl]thio]quinazolin-4-one Formula: C27H29N3O2S MolecularWeight: 459.60306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=C(N(C(=C3)C)C4=CC=C(C=C4)C)C

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=C(N(C(=C3)C)C4=CC=C(C=C4)C)C

InChI

InChI=1S/C27H29N3O2S/c1-5-6-15-29-26(32)22-9-7-8-10-24(22)28-27(29)33-17-25(31)23-16-19(3)30(20(23)4)21-13-11-18(2)12-14-21/h7-14,16H,5-6,15,17H2,1-4H3