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

Systemtic Name: 4-methyl-3-[[4-(4-nitrophenyl)phenyl]methylsulfanyl]-5-phenyl-1,2,4-triazole Openeye Name: 4-methyl-3-[[4-(4-nitrophenyl)phenyl]methylsulfanyl]-5-phenyl-1,2,4-triazole CAS Name: 4-methyl-3-[[4-(4-nitrophenyl)phenyl]methylthio]-5-phenyl-1,2,4-triazole IUPAC Name: 4-methyl-3-[[4-(4-nitrophenyl)phenyl]methylsulfanyl]-5-phenyl-1,2,4-triazole Traditional Name: 4-methyl-3-[[4-(4-nitrophenyl)benzyl]thio]-5-phenyl-1,2,4-triazole Formula: C22H18N4O2S MolecularWeight: 402.46892

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C22H18N4O2S/c1-25-21(19-5-3-2-4-6-19)23-24-22(25)29-15-16-7-9-17(10-8-16)18-11-13-20(14-12-18)26(27)28/h2-14H,15H2,1H3