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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-nitro-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide Formula: C11H9N7O3S2 MolecularWeight: 351.36426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])N=C(S2)NC(=O)CSC3=NNC(=N3)N

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])N=C(S2)NC(=O)CSC3=NNC(=N3)N

InChI

InChI=1S/C11H9N7O3S2/c12-9-15-11(17-16-9)22-4-8(19)14-10-13-6-3-5(18(20)21)1-2-7(6)23-10/h1-3H,4H2,(H,13,14,19)(H3,12,15,16,17)