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

Systemtic Name: 6,8-bis(bromanyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 6,8-dibromo-2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 6,8-dibromo-2-[[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 6,8-dibromo-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 6,8-dibromo-2-[[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one Formula: C14H13Br2N5OS MolecularWeight: 459.15892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SCC2=NC(=O)C3=CC(=CC(=C3N2)Br)Br

Isomeric SMILES

CC(C)C1=NC(=NN1)SCC2=NC(=O)C3=CC(=CC(=C3N2)Br)Br

InChI

InChI=1S/C14H13Br2N5OS/c1-6(2)12-19-14(21-20-12)23-5-10-17-11-8(13(22)18-10)3-7(15)4-9(11)16/h3-4,6H,5H2,1-2H3,(H,17,18,22)(H,19,20,21)