3-(3,5-dimethylphenyl)-2-[(1-propyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(3,5-dimethylphenyl)-2-[(1-propyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(3,5-dimethylphenyl)-2-[(1-propyltetrazol-5-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(3,5-dimethylphenyl)-2-[(1-propyl-5-tetrazolyl)methylthio]-4-quinazolinone IUPAC Name: 3-(3,5-dimethylphenyl)-2-[(1-propyltetrazol-5-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(3,5-dimethylphenyl)-2-[(1-propyltetrazol-5-yl)methylthio]quinazolin-4-one Formula: C21H22N6OS MolecularWeight: 406.50398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC(=C4)C)C

Isomeric SMILES

CCCN1C(=NN=N1)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC(=C4)C)C

InChI

InChI=1S/C21H22N6OS/c1-4-9-26-19(23-24-25-26)13-29-21-22-18-8-6-5-7-17(18)20(28)27(21)16-11-14(2)10-15(3)12-16/h5-8,10-12H,4,9,13H2,1-3H3