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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-chloranyl-3-nitro-phenyl)ethanone Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-chloro-3-nitro-phenyl)ethanone CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(4-chloro-3-nitrophenyl)ethanone IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-chloro-3-nitrophenyl)ethanone Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(4-chloro-3-nitro-phenyl)ethanone Formula: C10H8ClN5O3S MolecularWeight: 313.72022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H8ClN5O3S/c11-6-2-1-5(3-7(6)16(18)19)8(17)4-20-10-13-9(12)14-15-10/h1-3H,4H2,(H3,12,13,14,15)