2-[[[3-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-4-yl]amino]methyl]-4-methoxy-phenol

Systemtic Name: 2-[[[3-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-4-yl]amino]methyl]-4-methoxy-phenol Openeye Name: 2-[[[3-(4-chlorophenyl)-5-(4-pyridyl)-1,2,4-triazol-4-yl]amino]methyl]-4-methoxy-phenol CAS Name: 2-[[[3-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-4-yl]amino]methyl]-4-methoxyphenol IUPAC Name: 2-[[[3-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-4-yl]amino]methyl]-4-methoxyphenol Traditional Name: 2-[[[3-(4-chlorophenyl)-5-(4-pyridyl)-1,2,4-triazol-4-yl]amino]methyl]-4-methoxy-phenol Formula: C21H18ClN5O2 MolecularWeight: 407.85292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)O)CNN2C(=NN=C2C3=CC=NC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=CC(=C(C=C1)O)CNN2C(=NN=C2C3=CC=NC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H18ClN5O2/c1-29-18-6-7-19(28)16(12-18)13-24-27-20(14-2-4-17(22)5-3-14)25-26-21(27)15-8-10-23-11-9-15/h2-12,24,28H,13H2,1H3