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

Systemtic Name: 2-[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-3-[(4-methylphenyl)methyl]quinazolin-4-one Openeye Name: 2-[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-3-(p-tolylmethyl)quinazolin-4-one CAS Name: 2-[[2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl]thio]-3-[(4-methylphenyl)methyl]-4-quinazolinone IUPAC Name: 2-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]sulfanyl-3-[(4-methylphenyl)methyl]quinazolin-4-one Traditional Name: 2-[[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]thio]-3-(4-methylbenzyl)quinazolin-4-one Formula: C27H27N3O2S MolecularWeight: 457.58718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=C(N(C(=C4)C)CC=C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=C(N(C(=C4)C)CC=C)C

InChI

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