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

Systemtic Name: 3-[(3,4-dimethoxyphenyl)methylsulfanyl]-4-methyl-5-(4-nitrophenyl)-1,2,4-triazole Openeye Name: 3-[(3,4-dimethoxyphenyl)methylsulfanyl]-4-methyl-5-(4-nitrophenyl)-1,2,4-triazole CAS Name: 3-[(3,4-dimethoxyphenyl)methylthio]-4-methyl-5-(4-nitrophenyl)-1,2,4-triazole IUPAC Name: 3-[(3,4-dimethoxyphenyl)methylsulfanyl]-4-methyl-5-(4-nitrophenyl)-1,2,4-triazole Traditional Name: 4-methyl-3-(4-nitrophenyl)-5-(veratrylthio)-1,2,4-triazole Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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