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

Systemtic Name: N-[[3-bromanyl-5-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-1,2,4-triazol-4-amine Openeye Name: N-[[3-bromo-5-ethoxy-4-(2-thienylmethoxy)phenyl]methyl]-1,2,4-triazol-4-amine CAS Name: N-[[3-bromo-5-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-1,2,4-triazol-4-amine IUPAC Name: N-[[3-bromo-5-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-1,2,4-triazol-4-amine Traditional Name: [3-bromo-5-ethoxy-4-(2-thenyloxy)benzyl]-(1,2,4-triazol-4-yl)amine Formula: C16H17BrN4O2S MolecularWeight: 409.30078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNN2C=NN=C2)Br)OCC3=CC=CS3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CNN2C=NN=C2)Br)OCC3=CC=CS3

InChI

InChI=1S/C16H17BrN4O2S/c1-2-22-15-7-12(8-20-21-10-18-19-11-21)6-14(17)16(15)23-9-13-4-3-5-24-13/h3-7,10-11,20H,2,8-9H2,1H3