3-[1-[[(5-bromanyl-2-methoxy-phenyl)methyl-methyl-amino]methyl]-4-methyl-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[1-[[(5-bromanyl-2-methoxy-phenyl)methyl-methyl-amino]methyl]-4-methyl-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[1-[[(5-bromo-2-methoxy-phenyl)methyl-methyl-amino]methyl]-4-methyl-5-thioxo-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[1-[[(5-bromo-2-methoxyphenyl)methyl-methylamino]methyl]-4-methyl-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[1-[[(5-bromo-2-methoxyphenyl)methyl-methylamino]methyl]-4-methyl-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[1-[[(5-bromo-2-methoxy-benzyl)-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)CC2=C(C=CC(=C2)Br)OC)CCC(=O)N

Isomeric SMILES

CN1C(=NN(C1=S)CN(C)CC2=C(C=CC(=C2)Br)OC)CCC(=O)N

InChI

InChI=1S/C16H22BrN5O2S/c1-20(9-11-8-12(17)4-5-13(11)24-3)10-22-16(25)21(2)15(19-22)7-6-14(18)23/h4-5,8H,6-7,9-10H2,1-3H3,(H2,18,23)