5-(3-nitrophenyl)-3-[(4-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-(3-nitrophenyl)-3-[(4-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-(3-nitrophenyl)-3-[(4-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-(3-nitrophenyl)-3-[(4-nitrophenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-(3-nitrophenyl)-3-[(4-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 3-[(4-nitrobenzyl)thio]-5-(3-nitrophenyl)-1H-1,2,4-triazole Formula: C15H11N5O4S MolecularWeight: 357.34394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=NC(=NN2)SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=NC(=NN2)SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H11N5O4S/c21-19(22)12-6-4-10(5-7-12)9-25-15-16-14(17-18-15)11-2-1-3-13(8-11)20(23)24/h1-8H,9H2,(H,16,17,18)