2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-nitrophenyl)ethanone

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-nitrophenyl)ethanone Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-nitrophenyl)ethanone CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(4-nitrophenyl)ethanone IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-nitrophenyl)ethanone Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(4-nitrophenyl)ethanone Formula: C10H9N5O3S MolecularWeight: 279.27516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CSC2=NNC(=N2)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)CSC2=NNC(=N2)N)[N+](=O)[O-]

InChI

InChI=1S/C10H9N5O3S/c11-9-12-10(14-13-9)19-5-8(16)6-1-3-7(4-2-6)15(17)18/h1-4H,5H2,(H3,11,12,13,14)