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

Systemtic Name: 3-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-5-methyl-4-phenyl-1,2,4-triazole Openeye Name: 3-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-5-methyl-4-phenyl-1,2,4-triazole CAS Name: 3-[(4-methoxy-3-nitrophenyl)methylthio]-5-methyl-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-5-methyl-4-phenyl-1,2,4-triazole Traditional Name: 3-[(4-methoxy-3-nitro-benzyl)thio]-5-methyl-4-phenyl-1,2,4-triazole Formula: C17H16N4O3S MolecularWeight: 356.39894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SCC3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SCC3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O3S/c1-12-18-19-17(20(12)14-6-4-3-5-7-14)25-11-13-8-9-16(24-2)15(10-13)21(22)23/h3-10H,11H2,1-2H3