3-(2,4-dimethylphenyl)-2-(3-phenylpropylsulfanyl)quinazolin-4-one

Systemtic Name: 3-(2,4-dimethylphenyl)-2-(3-phenylpropylsulfanyl)quinazolin-4-one Openeye Name: 3-(2,4-dimethylphenyl)-2-(3-phenylpropylsulfanyl)quinazolin-4-one CAS Name: 3-(2,4-dimethylphenyl)-2-(3-phenylpropylthio)-4-quinazolinone IUPAC Name: 3-(2,4-dimethylphenyl)-2-(3-phenylpropylsulfanyl)quinazolin-4-one Traditional Name: 3-(2,4-dimethylphenyl)-2-(3-phenylpropylthio)quinazolin-4-one Formula: C25H24N2OS MolecularWeight: 400.53586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCCCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCCCC4=CC=CC=C4)C

InChI

InChI=1S/C25H24N2OS/c1-18-14-15-23(19(2)17-18)27-24(28)21-12-6-7-13-22(21)26-25(27)29-16-8-11-20-9-4-3-5-10-20/h3-7,9-10,12-15,17H,8,11,16H2,1-2H3