2-[[4-[2-(1-chloroethyloxy)phenyl]carbonylphenyl]methylsulfanyl]-3,4-dimethyl-quinazolin-5-one

Systemtic Name: 2-[[4-[2-(1-chloroethyloxy)phenyl]carbonylphenyl]methylsulfanyl]-3,4-dimethyl-quinazolin-5-one Openeye Name: 2-[[4-[2-(1-chloroethoxy)benzoyl]phenyl]methylsulfanyl]-3,4-dimethyl-quinazolin-5-one CAS Name: 2-[[4-[[2-(1-chloroethoxy)phenyl]-oxomethyl]phenyl]methylthio]-3,4-dimethyl-5-quinazolinone IUPAC Name: 2-[[4-[2-(1-chloroethoxy)benzoyl]phenyl]methylsulfanyl]-3,4-dimethylquinazolin-5-one Traditional Name: 2-[[4-[2-(1-chloroethoxy)benzoyl]benzyl]thio]-3,4-dimethyl-quinazolin-5-one Formula: C26H23ClN2O3S MolecularWeight: 478.99042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=O)C=CC=C2N=C(N1C)SCC3=CC=C(C=C3)C(=O)C4=CC=CC=C4OC(C)Cl

Isomeric SMILES

CC1=C2C(=O)C=CC=C2N=C(N1C)SCC3=CC=C(C=C3)C(=O)C4=CC=CC=C4OC(C)Cl

InChI

InChI=1S/C26H23ClN2O3S/c1-16-24-21(8-6-9-22(24)30)28-26(29(16)3)33-15-18-11-13-19(14-12-18)25(31)20-7-4-5-10-23(20)32-17(2)27/h4-14,17H,15H2,1-3H3