1-[5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]benzotriazole

Systemtic Name: 1-[5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]benzotriazole Openeye Name: 1-[5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]benzotriazole CAS Name: 1-[5-[(4-nitrophenyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]benzotriazole IUPAC Name: 1-[5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]benzotriazole Traditional Name: 1-[5-[(4-nitrobenzyl)thio]-4-phenyl-1,2,4-triazol-3-yl]benzotriazole Formula: C21H15N7O2S MolecularWeight: 429.4545

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])N4C5=CC=CC=C5N=N4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C21H15N7O2S/c29-28(30)17-12-10-15(11-13-17)14-31-21-24-23-20(26(21)16-6-2-1-3-7-16)27-19-9-5-4-8-18(19)22-25-27/h1-13H,14H2