3-[1-[[2-(4-bromanylphenoxy)ethyl-methyl-amino]methyl]-4-methyl-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[1-[[2-(4-bromanylphenoxy)ethyl-methyl-amino]methyl]-4-methyl-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[1-[[2-(4-bromophenoxy)ethyl-methyl-amino]methyl]-4-methyl-5-thioxo-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[1-[[2-(4-bromophenoxy)ethyl-methylamino]methyl]-4-methyl-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[1-[[2-(4-bromophenoxy)ethyl-methylamino]methyl]-4-methyl-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[1-[[2-(4-bromophenoxy)ethyl-methyl-amino]methyl]-4-methyl-5-thioxo-1,2,4-triazol-3-yl]propionamide Formula: C16H22BrN5O2S MolecularWeight: 428.34718

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)CN(C)CCOC2=CC=C(C=C2)Br)CCC(=O)N

Isomeric SMILES

CN1C(=NN(C1=S)CN(C)CCOC2=CC=C(C=C2)Br)CCC(=O)N

InChI

InChI=1S/C16H22BrN5O2S/c1-20(9-10-24-13-5-3-12(17)4-6-13)11-22-16(25)21(2)15(19-22)8-7-14(18)23/h3-6H,7-11H2,1-2H3,(H2,18,23)