3-ethyl-4-(4-methoxyphenyl)-5-(3-methyl-4-nitro-phenyl)-1,2,4-triazole

Systemtic Name: 3-ethyl-4-(4-methoxyphenyl)-5-(3-methyl-4-nitro-phenyl)-1,2,4-triazole Openeye Name: 3-ethyl-4-(4-methoxyphenyl)-5-(3-methyl-4-nitro-phenyl)-1,2,4-triazole CAS Name: 3-ethyl-4-(4-methoxyphenyl)-5-(3-methyl-4-nitrophenyl)-1,2,4-triazole IUPAC Name: 3-ethyl-4-(4-methoxyphenyl)-5-(3-methyl-4-nitrophenyl)-1,2,4-triazole Traditional Name: 3-ethyl-4-(4-methoxyphenyl)-5-(3-methyl-4-nitro-phenyl)-1,2,4-triazole Formula: C18H18N4O3 MolecularWeight: 338.36052

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C2=CC=C(C=C2)OC)C3=CC(=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CCC1=NN=C(N1C2=CC=C(C=C2)OC)C3=CC(=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C18H18N4O3/c1-4-17-19-20-18(13-5-10-16(22(23)24)12(2)11-13)21(17)14-6-8-15(25-3)9-7-14/h5-11H,4H2,1-3H3