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

Systemtic Name: 3,5-bis[(4-nitrophenyl)methylsulfanyl]-1-phenyl-1,2,4-triazole Openeye Name: 3,5-bis[(4-nitrophenyl)methylsulfanyl]-1-phenyl-1,2,4-triazole CAS Name: 3,5-bis[(4-nitrophenyl)methylthio]-1-phenyl-1,2,4-triazole IUPAC Name: 3,5-bis[(4-nitrophenyl)methylsulfanyl]-1-phenyl-1,2,4-triazole Traditional Name: 3,5-bis[(4-nitrobenzyl)thio]-1-phenyl-1,2,4-triazole Formula: C22H17N5O4S2 MolecularWeight: 479.53148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NC(=N2)SCC3=CC=C(C=C3)[N+](=O)[O-])SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NC(=N2)SCC3=CC=C(C=C3)[N+](=O)[O-])SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H17N5O4S2/c28-26(29)19-10-6-16(7-11-19)14-32-21-23-22(25(24-21)18-4-2-1-3-5-18)33-15-17-8-12-20(13-9-17)27(30)31/h1-13H,14-15H2