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

Systemtic Name: 2-[(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-3-(4-fluorophenyl)quinazolin-4-one Openeye Name: 2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-3-(4-fluorophenyl)quinazolin-4-one CAS Name: 2-[[(1-cyclopentyl-5-tetrazolyl)thio]methyl]-3-(4-fluorophenyl)-4-quinazolinone IUPAC Name: 2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-3-(4-fluorophenyl)quinazolin-4-one Traditional Name: 2-[[(1-cyclopentyltetrazol-5-yl)thio]methyl]-3-(4-fluorophenyl)quinazolin-4-one Formula: C21H19FN6OS MolecularWeight: 422.478563

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=NN=N2)SCC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)F

Isomeric SMILES

C1CCC(C1)N2C(=NN=N2)SCC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)F

InChI

InChI=1S/C21H19FN6OS/c22-14-9-11-15(12-10-14)27-19(23-18-8-4-3-7-17(18)20(27)29)13-30-21-24-25-26-28(21)16-5-1-2-6-16/h3-4,7-12,16H,1-2,5-6,13H2