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

Systemtic Name: 2-[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-3-phenyl-quinazolin-4-one Openeye Name: 2-[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-3-phenyl-quinazolin-4-one CAS Name: 2-[[2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl]thio]-3-phenyl-4-quinazolinone IUPAC Name: 2-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-one Traditional Name: 2-[[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]thio]-3-phenyl-quinazolin-4-one Formula: C25H23N3O2S MolecularWeight: 429.53402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4

InChI

InChI=1S/C25H23N3O2S/c1-4-14-27-17(2)15-21(18(27)3)23(29)16-31-25-26-22-13-9-8-12-20(22)24(30)28(25)19-10-6-5-7-11-19/h4-13,15H,1,14,16H2,2-3H3