2-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-3-(4-fluorophenyl)quinazolin-4-one

Systemtic Name: 2-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-3-(4-fluorophenyl)quinazolin-4-one Openeye Name: 2-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-3-(4-fluorophenyl)quinazolin-4-one CAS Name: 2-[[(1-tert-butyl-5-tetrazolyl)thio]methyl]-3-(4-fluorophenyl)-4-quinazolinone IUPAC Name: 2-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-3-(4-fluorophenyl)quinazolin-4-one Traditional Name: 2-[[(1-tert-butyltetrazol-5-yl)thio]methyl]-3-(4-fluorophenyl)quinazolin-4-one Formula: C20H19FN6OS MolecularWeight: 410.467863

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=NN=N1)SCC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F

Isomeric SMILES

CC(C)(C)N1C(=NN=N1)SCC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F

InChI

InChI=1S/C20H19FN6OS/c1-20(2,3)27-19(23-24-25-27)29-12-17-22-16-7-5-4-6-15(16)18(28)26(17)14-10-8-13(21)9-11-14/h4-11H,12H2,1-3H3