2-[(4-azanyl-1,2,4-triazol-3-yl)sulfanyl]-N-(6-bromanyl-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-[(4-azanyl-1,2,4-triazol-3-yl)sulfanyl]-N-(6-bromanyl-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(6-bromo-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[(4-amino-1,2,4-triazol-3-yl)thio]-N-(6-bromo-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(6-bromo-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[(4-amino-1,2,4-triazol-3-yl)thio]-N-(6-bromo-1,3-benzothiazol-2-yl)acetamide Formula: C11H9BrN6OS2 MolecularWeight: 385.26276

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)SC(=N2)NC(=O)CSC3=NN=CN3N

Isomeric SMILES

C1=CC2=C(C=C1Br)SC(=N2)NC(=O)CSC3=NN=CN3N

InChI

InChI=1S/C11H9BrN6OS2/c12-6-1-2-7-8(3-6)21-10(15-7)16-9(19)4-20-11-17-14-5-18(11)13/h1-3,5H,4,13H2,(H,15,16,19)