3-(4-butan-2-ylphenyl)-7-chloranyl-2-(naphthalen-1-ylmethylsulfanyl)quinazolin-4-one

Systemtic Name: 3-(4-butan-2-ylphenyl)-7-chloranyl-2-(naphthalen-1-ylmethylsulfanyl)quinazolin-4-one Openeye Name: 7-chloro-2-(1-naphthylmethylsulfanyl)-3-(4-sec-butylphenyl)quinazolin-4-one CAS Name: 3-(4-butan-2-ylphenyl)-7-chloro-2-(1-naphthalenylmethylthio)-4-quinazolinone IUPAC Name: 3-(4-butan-2-ylphenyl)-7-chloro-2-(naphthalen-1-ylmethylsulfanyl)quinazolin-4-one Traditional Name: 7-chloro-2-(1-naphthylmethylthio)-3-(4-sec-butylphenyl)quinazolin-4-one Formula: C29H25ClN2OS MolecularWeight: 485.0396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C29H25ClN2OS/c1-3-19(2)20-11-14-24(15-12-20)32-28(33)26-16-13-23(30)17-27(26)31-29(32)34-18-22-9-6-8-21-7-4-5-10-25(21)22/h4-17,19H,3,18H2,1-2H3