3-[3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-5-yl]aniline

Systemtic Name: 3-[3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-5-yl]aniline Openeye Name: 3-[3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-5-yl]aniline CAS Name: 3-[3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-5-yl]aniline IUPAC Name: 3-[3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-5-yl]aniline Traditional Name: [3-[3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-5-yl]phenyl]amine Formula: C17H18N4O3 MolecularWeight: 326.34982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NNC(=N2)C3=CC(=CC=C3)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NNC(=N2)C3=CC(=CC=C3)N

InChI

InChI=1S/C17H18N4O3/c1-22-13-8-11(9-14(23-2)15(13)24-3)17-19-16(20-21-17)10-5-4-6-12(18)7-10/h4-9H,18H2,1-3H3,(H,19,20,21)