N-[2-(4-bromanylphenoxy)ethyl]-N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-[2-(4-bromanylphenoxy)ethyl]-N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-[2-(4-bromophenoxy)ethyl]-N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-[2-(4-bromophenoxy)ethyl]-N-methyl-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-[2-(4-bromophenoxy)ethyl]-N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-[2-(4-bromophenoxy)ethyl]-N-methyl-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C19H19BrN4O2S MolecularWeight: 447.34876

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCOC1=CC=C(C=C1)Br)C(=O)C2=CC=C(C=C2)CSC3=NC=NN3

Isomeric SMILES

CN(CCOC1=CC=C(C=C1)Br)C(=O)C2=CC=C(C=C2)CSC3=NC=NN3

InChI

InChI=1S/C19H19BrN4O2S/c1-24(10-11-26-17-8-6-16(20)7-9-17)18(25)15-4-2-14(3-5-15)12-27-19-21-13-22-23-19/h2-9,13H,10-12H2,1H3,(H,21,22,23)