5-azanyl-2-[(6-bromanyl-1,3-benzodioxol-5-yl)sulfanyl]-1-methyl-imidazole-4-carboxamide

Systemtic Name: 5-azanyl-2-[(6-bromanyl-1,3-benzodioxol-5-yl)sulfanyl]-1-methyl-imidazole-4-carboxamide Openeye Name: 5-amino-2-[(6-bromo-1,3-benzodioxol-5-yl)sulfanyl]-1-methyl-imidazole-4-carboxamide CAS Name: 5-amino-2-[(6-bromo-1,3-benzodioxol-5-yl)thio]-1-methyl-4-imidazolecarboxamide IUPAC Name: 5-amino-2-[(6-bromo-1,3-benzodioxol-5-yl)sulfanyl]-1-methylimidazole-4-carboxamide Traditional Name: 5-amino-2-[(6-bromo-1,3-benzodioxol-5-yl)thio]-1-methyl-imidazole-4-carboxamide Formula: C12H11BrN4O3S MolecularWeight: 371.20974

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(N=C1SC2=C(C=C3C(=C2)OCO3)Br)C(=O)N)N

Isomeric SMILES

CN1C(=C(N=C1SC2=C(C=C3C(=C2)OCO3)Br)C(=O)N)N

InChI

InChI=1S/C12H11BrN4O3S/c1-17-10(14)9(11(15)18)16-12(17)21-8-3-7-6(2-5(8)13)19-4-20-7/h2-3H,4,14H2,1H3,(H2,15,18)