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

Systemtic Name: 3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole Openeye Name: 3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole CAS Name: 3-[(2-methoxy-5-nitrophenyl)methylthio]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole IUPAC Name: 3-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole Traditional Name: 3-[(2-methoxy-5-nitro-benzyl)thio]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O4S/c1-21-17(12-4-7-15(25-2)8-5-12)19-20-18(21)27-11-13-10-14(22(23)24)6-9-16(13)26-3/h4-10H,11H2,1-3H3