6-chloranyl-3-(2-methylpropyl)-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 6-chloranyl-3-(2-methylpropyl)-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 6-chloro-3-isobutyl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]quinazolin-4-one CAS Name: 6-chloro-3-(2-methylpropyl)-2-[(1-phenyl-5-tetrazolyl)methylthio]-4-quinazolinone IUPAC Name: 6-chloro-3-(2-methylpropyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 6-chloro-3-isobutyl-2-[(1-phenyltetrazol-5-yl)methylthio]quinazolin-4-one Formula: C20H19ClN6OS MolecularWeight: 426.92246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C20H19ClN6OS/c1-13(2)11-26-19(28)16-10-14(21)8-9-17(16)22-20(26)29-12-18-23-24-25-27(18)15-6-4-3-5-7-15/h3-10,13H,11-12H2,1-2H3