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

Systemtic Name: 3-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1H-1,2,4-triazole Openeye Name: 3-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1H-1,2,4-triazole CAS Name: 3-[(4-methoxy-3-nitrophenyl)methylthio]-5-(4-methoxyphenyl)-1H-1,2,4-triazole IUPAC Name: 3-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1H-1,2,4-triazole Traditional Name: 3-[(4-methoxy-3-nitro-benzyl)thio]-5-(4-methoxyphenyl)-1H-1,2,4-triazole Formula: C17H16N4O4S MolecularWeight: 372.39834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O4S/c1-24-13-6-4-12(5-7-13)16-18-17(20-19-16)26-10-11-3-8-15(25-2)14(9-11)21(22)23/h3-9H,10H2,1-2H3,(H,18,19,20)