2-[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanyl-3-(4-phenoxyphenyl)quinazolin-4-one

Systemtic Name: 2-[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanyl-3-(4-phenoxyphenyl)quinazolin-4-one Openeye Name: 2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanyl-3-(4-phenoxyphenyl)quinazolin-4-one CAS Name: 2-[[2-oxo-2-(1,2,5-trimethyl-3-pyrrolyl)ethyl]thio]-3-(4-phenoxyphenyl)-4-quinazolinone IUPAC Name: 2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanyl-3-(4-phenoxyphenyl)quinazolin-4-one Traditional Name: 2-[[2-keto-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]thio]-3-(4-phenoxyphenyl)quinazolin-4-one Formula: C29H25N3O3S MolecularWeight: 495.5921

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C29H25N3O3S/c1-19-17-25(20(2)31(19)3)27(33)18-36-29-30-26-12-8-7-11-24(26)28(34)32(29)21-13-15-23(16-14-21)35-22-9-5-4-6-10-22/h4-17H,18H2,1-3H3