2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-pyridine

Systemtic Name: 2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-pyridine Openeye Name: 2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-pyridine CAS Name: 2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]thio]-3-nitropyridine IUPAC Name: 2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-nitropyridine Traditional Name: 2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]thio]-3-nitro-pyridine Formula: C13H8ClN5O2S MolecularWeight: 333.75292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SC2=NNC(=N2)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(N=C1)SC2=NNC(=N2)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H8ClN5O2S/c14-9-5-3-8(4-6-9)11-16-13(18-17-11)22-12-10(19(20)21)2-1-7-15-12/h1-7H,(H,16,17,18)