2-[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(pyridin-4-ylmethyl)quinazolin-4-one

Systemtic Name: 2-[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(pyridin-4-ylmethyl)quinazolin-4-one Openeye Name: 2-[2-(2,5-dimethylphenyl)-2-oxo-ethyl]sulfanyl-3-(4-pyridylmethyl)quinazolin-4-one CAS Name: 2-[[2-(2,5-dimethylphenyl)-2-oxoethyl]thio]-3-(pyridin-4-ylmethyl)-4-quinazolinone IUPAC Name: 2-[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl-3-(pyridin-4-ylmethyl)quinazolin-4-one Traditional Name: 2-[[2-(2,5-dimethylphenyl)-2-keto-ethyl]thio]-3-(4-pyridylmethyl)quinazolin-4-one Formula: C24H21N3O2S MolecularWeight: 415.50744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=NC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=NC=C4

InChI

InChI=1S/C24H21N3O2S/c1-16-7-8-17(2)20(13-16)22(28)15-30-24-26-21-6-4-3-5-19(21)23(29)27(24)14-18-9-11-25-12-10-18/h3-13H,14-15H2,1-2H3