N3-(4-imidazol-1-yl-3-methoxy-phenyl)-1-phenyl-1,2,4-triazole-3,5-diamine

Systemtic Name: N3-(4-imidazol-1-yl-3-methoxy-phenyl)-1-phenyl-1,2,4-triazole-3,5-diamine Openeye Name: N3-(4-imidazol-1-yl-3-methoxy-phenyl)-1-phenyl-1,2,4-triazole-3,5-diamine CAS Name: N3-[4-(1-imidazolyl)-3-methoxyphenyl]-1-phenyl-1,2,4-triazole-3,5-diamine IUPAC Name: 3-N-(4-imidazol-1-yl-3-methoxyphenyl)-1-phenyl-1,2,4-triazole-3,5-diamine Traditional Name: (5-amino-1-phenyl-1,2,4-triazol-3-yl)-(4-imidazol-1-yl-3-methoxy-phenyl)amine Formula: C18H17N7O MolecularWeight: 347.37388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC2=NN(C(=N2)N)C3=CC=CC=C3)N4C=CN=C4

Isomeric SMILES

COC1=C(C=CC(=C1)NC2=NN(C(=N2)N)C3=CC=CC=C3)N4C=CN=C4

InChI

InChI=1S/C18H17N7O/c1-26-16-11-13(7-8-15(16)24-10-9-20-12-24)21-18-22-17(19)25(23-18)14-5-3-2-4-6-14/h2-12H,1H3,(H3,19,21,22,23)