N-[[3-bromanyl-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-1H-1,2,4-triazol-5-amine

Systemtic Name: N-[[3-bromanyl-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-1H-1,2,4-triazol-5-amine Openeye Name: N-[[3-bromo-5-methoxy-4-(p-tolylmethoxy)phenyl]methyl]-1H-1,2,4-triazol-5-amine CAS Name: N-[[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-1H-1,2,4-triazol-5-amine IUPAC Name: N-[[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-1H-1,2,4-triazol-5-amine Traditional Name: [3-bromo-5-methoxy-4-(4-methylbenzyl)oxy-benzyl]-(1H-1,2,4-triazol-5-yl)amine Formula: C18H19BrN4O2 MolecularWeight: 403.27306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2=C(C=C(C=C2Br)CNC3=NC=NN3)OC

Isomeric SMILES

CC1=CC=C(C=C1)COC2=C(C=C(C=C2Br)CNC3=NC=NN3)OC

InChI

InChI=1S/C18H19BrN4O2/c1-12-3-5-13(6-4-12)10-25-17-15(19)7-14(8-16(17)24-2)9-20-18-21-11-22-23-18/h3-8,11H,9-10H2,1-2H3,(H2,20,21,22,23)