3-[2,6-bis(chloranyl)phenyl]-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]quinazolin-4-one

Systemtic Name: 3-[2,6-bis(chloranyl)phenyl]-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]quinazolin-4-one Openeye Name: 3-(2,6-dichlorophenyl)-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]quinazolin-4-one CAS Name: 3-(2,6-dichlorophenyl)-2-[[(1-phenyl-5-tetrazolyl)thio]methyl]-4-quinazolinone IUPAC Name: 3-(2,6-dichlorophenyl)-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]quinazolin-4-one Traditional Name: 3-(2,6-dichlorophenyl)-2-[[(1-phenyltetrazol-5-yl)thio]methyl]quinazolin-4-one Formula: C22H14Cl2N6OS MolecularWeight: 481.35716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)SCC3=NC4=CC=CC=C4C(=O)N3C5=C(C=CC=C5Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SCC3=NC4=CC=CC=C4C(=O)N3C5=C(C=CC=C5Cl)Cl

InChI

InChI=1S/C22H14Cl2N6OS/c23-16-10-6-11-17(24)20(16)29-19(25-18-12-5-4-9-15(18)21(29)31)13-32-22-26-27-28-30(22)14-7-2-1-3-8-14/h1-12H,13H2