6,8-bis(bromanyl)-2-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 6,8-bis(bromanyl)-2-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 6,8-dibromo-2-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 6,8-dibromo-2-[[(1-cyclopropyl-5-tetrazolyl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 6,8-dibromo-2-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 6,8-dibromo-2-[[(1-cyclopropyltetrazol-5-yl)thio]methyl]-1H-quinazolin-4-one Formula: C13H10Br2N6OS MolecularWeight: 458.1311

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=N2)SCC3=NC(=O)C4=CC(=CC(=C4N3)Br)Br

Isomeric SMILES

C1CC1N2C(=NN=N2)SCC3=NC(=O)C4=CC(=CC(=C4N3)Br)Br

InChI

InChI=1S/C13H10Br2N6OS/c14-6-3-8-11(9(15)4-6)16-10(17-12(8)22)5-23-13-18-19-20-21(13)7-1-2-7/h3-4,7H,1-2,5H2,(H,16,17,22)