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

Systemtic Name: 3-[1-[[(4-bromophenyl)methyl-methyl-amino]methyl]-4-methyl-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[1-[[(4-bromophenyl)methyl-methyl-amino]methyl]-4-methyl-5-thioxo-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[1-[[(4-bromophenyl)methyl-methylamino]methyl]-4-methyl-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[1-[[(4-bromophenyl)methyl-methylamino]methyl]-4-methyl-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[1-[[(4-bromobenzyl)-methyl-amino]methyl]-4-methyl-5-thioxo-1,2,4-triazol-3-yl]propionamide Formula: C15H20BrN5OS MolecularWeight: 398.3212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20BrN5OS/c1-19(9-11-3-5-12(16)6-4-11)10-21-15(23)20(2)14(18-21)8-7-13(17)22/h3-6H,7-10H2,1-2H3,(H2,17,22)