7-chloranyl-2-[(3-methylphenyl)methylsulfanyl]-3-(3-propan-2-yloxypropyl)quinazolin-4-one

Systemtic Name: 7-chloranyl-2-[(3-methylphenyl)methylsulfanyl]-3-(3-propan-2-yloxypropyl)quinazolin-4-one Openeye Name: 7-chloro-3-(3-isopropoxypropyl)-2-(m-tolylmethylsulfanyl)quinazolin-4-one CAS Name: 7-chloro-2-[(3-methylphenyl)methylthio]-3-(3-propan-2-yloxypropyl)-4-quinazolinone IUPAC Name: 7-chloro-2-[(3-methylphenyl)methylsulfanyl]-3-(3-propan-2-yloxypropyl)quinazolin-4-one Traditional Name: 7-chloro-3-(3-isopropoxypropyl)-2-[(3-methylbenzyl)thio]quinazolin-4-one Formula: C22H25ClN2O2S MolecularWeight: 416.9641

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCCOC(C)C

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCCOC(C)C

InChI

InChI=1S/C22H25ClN2O2S/c1-15(2)27-11-5-10-25-21(26)19-9-8-18(23)13-20(19)24-22(25)28-14-17-7-4-6-16(3)12-17/h4,6-9,12-13,15H,5,10-11,14H2,1-3H3