2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(6-bromanyl-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(6-bromanyl-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(6-bromo-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(6-bromo-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(6-bromo-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[(5-amino-1H-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=NNC(=N3)N

Isomeric SMILES

C1=CC2=C(C=C1Br)SC(=N2)NC(=O)CSC3=NNC(=N3)N

InChI

InChI=1S/C11H9BrN6OS2/c12-5-1-2-6-7(3-5)21-10(14-6)15-8(19)4-20-11-16-9(13)17-18-11/h1-3H,4H2,(H,14,15,19)(H3,13,16,17,18)