3-[5-[4-(4-bromophenyl)-4-oxidanylidene-butyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[5-[4-(4-bromophenyl)-4-oxidanylidene-butyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[4-(4-bromophenyl)-4-oxo-butyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[[4-(4-bromophenyl)-4-oxobutyl]thio]-4-methyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[4-(4-bromophenyl)-4-oxobutyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[[4-(4-bromophenyl)-4-keto-butyl]thio]-4-methyl-1,2,4-triazol-3-yl]propionamide Formula: C16H19BrN4O2S MolecularWeight: 411.31666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCCC(=O)C2=CC=C(C=C2)Br)CCC(=O)N

Isomeric SMILES

CN1C(=NN=C1SCCCC(=O)C2=CC=C(C=C2)Br)CCC(=O)N

InChI

InChI=1S/C16H19BrN4O2S/c1-21-15(9-8-14(18)23)19-20-16(21)24-10-2-3-13(22)11-4-6-12(17)7-5-11/h4-7H,2-3,8-10H2,1H3,(H2,18,23)