N-[[4-[(6-chloranylpyridin-3-yl)methoxy]-3-methoxy-phenyl]methyl]-1H-1,2,4-triazol-5-amine

Systemtic Name: N-[[4-[(6-chloranylpyridin-3-yl)methoxy]-3-methoxy-phenyl]methyl]-1H-1,2,4-triazol-5-amine Openeye Name: N-[[4-[(6-chloro-3-pyridyl)methoxy]-3-methoxy-phenyl]methyl]-1H-1,2,4-triazol-5-amine CAS Name: N-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-1H-1,2,4-triazol-5-amine IUPAC Name: N-[[4-[(6-chloropyridin-3-yl)methoxy]-3-methoxyphenyl]methyl]-1H-1,2,4-triazol-5-amine Traditional Name: [4-[(6-chloro-3-pyridyl)methoxy]-3-methoxy-benzyl]-(1H-1,2,4-triazol-5-yl)amine Formula: C16H16ClN5O2 MolecularWeight: 345.78354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC2=NC=NN2)OCC3=CN=C(C=C3)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)CNC2=NC=NN2)OCC3=CN=C(C=C3)Cl

InChI

InChI=1S/C16H16ClN5O2/c1-23-14-6-11(7-19-16-20-10-21-22-16)2-4-13(14)24-9-12-3-5-15(17)18-8-12/h2-6,8,10H,7,9H2,1H3,(H2,19,20,21,22)