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

Systemtic Name: 2-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-3-(4-fluorophenyl)quinazolin-4-one Openeye Name: 2-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-3-(4-fluorophenyl)quinazolin-4-one CAS Name: 2-[[(1-cyclohexyl-5-tetrazolyl)thio]methyl]-3-(4-fluorophenyl)-4-quinazolinone IUPAC Name: 2-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-3-(4-fluorophenyl)quinazolin-4-one Traditional Name: 2-[[(1-cyclohexyltetrazol-5-yl)thio]methyl]-3-(4-fluorophenyl)quinazolin-4-one Formula: C22H21FN6OS MolecularWeight: 436.505143

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=N2)SCC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)F

Isomeric SMILES

C1CCC(CC1)N2C(=NN=N2)SCC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)F

InChI

InChI=1S/C22H21FN6OS/c23-15-10-12-16(13-11-15)28-20(24-19-9-5-4-8-18(19)21(28)30)14-31-22-25-26-27-29(22)17-6-2-1-3-7-17/h4-5,8-13,17H,1-3,6-7,14H2