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

Systemtic Name: 2-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-3-phenyl-quinazolin-4-one Openeye Name: 2-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-3-phenyl-quinazolin-4-one CAS Name: 2-[[(1-cyclohexyl-5-tetrazolyl)thio]methyl]-3-phenyl-4-quinazolinone IUPAC Name: 2-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-3-phenylquinazolin-4-one Traditional Name: 2-[[(1-cyclohexyltetrazol-5-yl)thio]methyl]-3-phenyl-quinazolin-4-one Formula: C22H22N6OS MolecularWeight: 418.51468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N6OS/c29-21-18-13-7-8-14-19(18)23-20(27(21)16-9-3-1-4-10-16)15-30-22-24-25-26-28(22)17-11-5-2-6-12-17/h1,3-4,7-10,13-14,17H,2,5-6,11-12,15H2