2-[(3-bromophenyl)methylsulfanyl]-3-cyclohexyl-quinazolin-4-one

Systemtic Name: 2-[(3-bromophenyl)methylsulfanyl]-3-cyclohexyl-quinazolin-4-one Openeye Name: 2-[(3-bromophenyl)methylsulfanyl]-3-cyclohexyl-quinazolin-4-one CAS Name: 2-[(3-bromophenyl)methylthio]-3-cyclohexyl-4-quinazolinone IUPAC Name: 2-[(3-bromophenyl)methylsulfanyl]-3-cyclohexylquinazolin-4-one Traditional Name: 2-[(3-bromobenzyl)thio]-3-cyclohexyl-quinazolin-4-one Formula: C21H21BrN2OS MolecularWeight: 429.37324

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)Br

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)Br

InChI

InChI=1S/C21H21BrN2OS/c22-16-8-6-7-15(13-16)14-26-21-23-19-12-5-4-11-18(19)20(25)24(21)17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10,14H2