2-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide Formula: C12H9BrN6O3S MolecularWeight: 397.20726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CN3C(=NC(=N3)[N+](=O)[O-])Br

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CN3C(=NC(=N3)[N+](=O)[O-])Br

InChI

InChI=1S/C12H9BrN6O3S/c1-6-2-3-7-8(4-6)23-12(14-7)15-9(20)5-18-10(13)16-11(17-18)19(21)22/h2-4H,5H2,1H3,(H,14,15,20)