5-[(4-chloranylphenoxy)methyl]-N3-(2-phenyl-1H-indol-3-yl)-1,2,4-triazole-3,4-diamine

Systemtic Name: 5-[(4-chloranylphenoxy)methyl]-N3-(2-phenyl-1H-indol-3-yl)-1,2,4-triazole-3,4-diamine Openeye Name: 5-[(4-chlorophenoxy)methyl]-N3-(2-phenyl-1H-indol-3-yl)-1,2,4-triazole-3,4-diamine CAS Name: 5-[(4-chlorophenoxy)methyl]-N3-(2-phenyl-1H-indol-3-yl)-1,2,4-triazole-3,4-diamine IUPAC Name: 5-[(4-chlorophenoxy)methyl]-3-N-(2-phenyl-1H-indol-3-yl)-1,2,4-triazole-3,4-diamine Traditional Name: [4-amino-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-3-yl]-(2-phenyl-1H-indol-3-yl)amine Formula: C23H19ClN6O MolecularWeight: 430.88956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)NC4=NN=C(N4N)COC5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)NC4=NN=C(N4N)COC5=CC=C(C=C5)Cl

InChI

InChI=1S/C23H19ClN6O/c24-16-10-12-17(13-11-16)31-14-20-28-29-23(30(20)25)27-22-18-8-4-5-9-19(18)26-21(22)15-6-2-1-3-7-15/h1-13,26H,14,25H2,(H,27,29)