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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-cyano-4-nitro-phenyl)ethanamide Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-cyano-4-nitro-phenyl)acetamide CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(2-cyano-4-nitrophenyl)acetamide IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-cyano-4-nitrophenyl)acetamide Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(2-cyano-4-nitro-phenyl)acetamide Formula: C11H9N7O3S MolecularWeight: 319.29926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C#N)NC(=O)CSC2=NNC(=N2)N

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C#N)NC(=O)CSC2=NNC(=N2)N

InChI

InChI=1S/C11H9N7O3S/c12-4-6-3-7(18(20)21)1-2-8(6)14-9(19)5-22-11-15-10(13)16-17-11/h1-3H,5H2,(H,14,19)(H3,13,15,16,17)