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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NNC(=N2)C3=CC=CC=C3[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NNC(=N2)C3=CC=CC=C3[N+](=O)[O-])[N+](=O)[O-]

InChI

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