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

Systemtic Name: 2-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-methoxyphenyl)quinazolin-4-one Openeye Name: 2-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-3-(3-methoxyphenyl)quinazolin-4-one CAS Name: 2-[[2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-oxoethyl]thio]-3-(3-methoxyphenyl)-4-quinazolinone IUPAC Name: 2-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl]sulfanyl-3-(3-methoxyphenyl)quinazolin-4-one Traditional Name: 2-[[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-keto-ethyl]thio]-3-(3-methoxyphenyl)quinazolin-4-one Formula: C29H25N3O3S MolecularWeight: 495.5921

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC(=CC=C5)OC

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC(=CC=C5)OC

InChI

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