2-[(2,5-dimethylphenyl)methylsulfanyl]-3-[(1R)-1-phenylethyl]quinazolin-4-one

Systemtic Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-[(1R)-1-phenylethyl]quinazolin-4-one Openeye Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-[(1R)-1-phenylethyl]quinazolin-4-one CAS Name: 2-[(2,5-dimethylphenyl)methylthio]-3-[(1R)-1-phenylethyl]-4-quinazolinone IUPAC Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-[(1R)-1-phenylethyl]quinazolin-4-one Traditional Name: 2-[(2,5-dimethylbenzyl)thio]-3-[(1R)-1-phenylethyl]quinazolin-4-one Formula: C25H24N2OS MolecularWeight: 400.53586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NC3=CC=CC=C3C(=O)N2C(C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC3=CC=CC=C3C(=O)N2[C@H](C)C4=CC=CC=C4

InChI

InChI=1S/C25H24N2OS/c1-17-13-14-18(2)21(15-17)16-29-25-26-23-12-8-7-11-22(23)24(28)27(25)19(3)20-9-5-4-6-10-20/h4-15,19H,16H2,1-3H3/t19-/m1/s1