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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)C

Isomeric SMILES

CCCN1C(=NN=N1)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)C

InChI

InChI=1S/C21H22N6OS/c1-3-12-27-19(23-24-25-27)14-29-21-22-18-7-5-4-6-17(18)20(28)26(21)13-16-10-8-15(2)9-11-16/h4-11H,3,12-14H2,1-2H3