5-(4-chloranyl-2-nitro-phenyl)sulfanyl-1H-1,2,4-triazole

Systemtic Name: 5-(4-chloranyl-2-nitro-phenyl)sulfanyl-1H-1,2,4-triazole Openeye Name: 5-(4-chloro-2-nitro-phenyl)sulfanyl-1H-1,2,4-triazole CAS Name: 5-[(4-chloro-2-nitrophenyl)thio]-1H-1,2,4-triazole IUPAC Name: 5-(4-chloro-2-nitrophenyl)sulfanyl-1H-1,2,4-triazole Traditional Name: 5-[(4-chloro-2-nitro-phenyl)thio]-1H-1,2,4-triazole Formula: C8H5ClN4O2S MolecularWeight: 256.6689

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)[N+](=O)[O-])SC2=NC=NN2

Isomeric SMILES

C1=CC(=C(C=C1Cl)[N+](=O)[O-])SC2=NC=NN2

InChI

InChI=1S/C8H5ClN4O2S/c9-5-1-2-7(6(3-5)13(14)15)16-8-10-4-11-12-8/h1-4H,(H,10,11,12)