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

Systemtic Name: N-[[3-bromanyl-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-1H-1,2,4-triazol-5-amine Openeye Name: N-[[3-bromo-5-methoxy-4-(2-thienylmethoxy)phenyl]methyl]-1H-1,2,4-triazol-5-amine CAS Name: N-[[3-bromo-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-1H-1,2,4-triazol-5-amine IUPAC Name: N-[[3-bromo-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-1H-1,2,4-triazol-5-amine Traditional Name: [3-bromo-5-methoxy-4-(2-thenyloxy)benzyl]-(1H-1,2,4-triazol-5-yl)amine Formula: C15H15BrN4O2S MolecularWeight: 395.2742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNC2=NC=NN2)Br)OCC3=CC=CS3

Isomeric SMILES

COC1=C(C(=CC(=C1)CNC2=NC=NN2)Br)OCC3=CC=CS3

InChI

InChI=1S/C15H15BrN4O2S/c1-21-13-6-10(7-17-15-18-9-19-20-15)5-12(16)14(13)22-8-11-3-2-4-23-11/h2-6,9H,7-8H2,1H3,(H2,17,18,19,20)