N-[(3-chloranyl-4-ethoxy-phenyl)methyl]-1H-1,2,4-triazol-5-amine

Systemtic Name: N-[(3-chloranyl-4-ethoxy-phenyl)methyl]-1H-1,2,4-triazol-5-amine Openeye Name: N-[(3-chloro-4-ethoxy-phenyl)methyl]-1H-1,2,4-triazol-5-amine CAS Name: N-[(3-chloro-4-ethoxyphenyl)methyl]-1H-1,2,4-triazol-5-amine IUPAC Name: N-[(3-chloro-4-ethoxyphenyl)methyl]-1H-1,2,4-triazol-5-amine Traditional Name: (3-chloro-4-ethoxy-benzyl)-(1H-1,2,4-triazol-5-yl)amine Formula: C11H13ClN4O MolecularWeight: 252.70012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CNC2=NC=NN2)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNC2=NC=NN2)Cl

InChI

InChI=1S/C11H13ClN4O/c1-2-17-10-4-3-8(5-9(10)12)6-13-11-14-7-15-16-11/h3-5,7H,2,6H2,1H3,(H2,13,14,15,16)