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

Systemtic Name: 2-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-3-(4-fluorophenyl)quinazolin-4-one Openeye Name: 2-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-3-(4-fluorophenyl)quinazolin-4-one CAS Name: 2-[[(1-cyclopropyl-5-tetrazolyl)thio]methyl]-3-(4-fluorophenyl)-4-quinazolinone IUPAC Name: 2-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-3-(4-fluorophenyl)quinazolin-4-one Traditional Name: 2-[[(1-cyclopropyltetrazol-5-yl)thio]methyl]-3-(4-fluorophenyl)quinazolin-4-one Formula: C19H15FN6OS MolecularWeight: 394.425403

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=N2)SCC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)F

Isomeric SMILES

C1CC1N2C(=NN=N2)SCC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)F

InChI

InChI=1S/C19H15FN6OS/c20-12-5-7-13(8-6-12)25-17(21-16-4-2-1-3-15(16)18(25)27)11-28-19-22-23-24-26(19)14-9-10-14/h1-8,14H,9-11H2