3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1-phenyl-1,2,4-triazole

Systemtic Name: 3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1-phenyl-1,2,4-triazole Openeye Name: 3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1-phenyl-1,2,4-triazole CAS Name: 3-[(2-methoxy-5-nitrophenyl)methylthio]-1-phenyl-1,2,4-triazole IUPAC Name: 3-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-1-phenyl-1,2,4-triazole Traditional Name: 3-[(2-methoxy-5-nitro-benzyl)thio]-1-phenyl-1,2,4-triazole Formula: C16H14N4O3S MolecularWeight: 342.37236

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NN(C=N2)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NN(C=N2)C3=CC=CC=C3

InChI

InChI=1S/C16H14N4O3S/c1-23-15-8-7-14(20(21)22)9-12(15)10-24-16-17-11-19(18-16)13-5-3-2-4-6-13/h2-9,11H,10H2,1H3