N-[3-[4-(4-bromophenyl)-5-(2-naphthalen-2-yl-2-oxidanylidene-ethyl)sulfanyl-1,2,4-triazol-3-yl]propyl]ethanamide

Systemtic Name: N-[3-[4-(4-bromophenyl)-5-(2-naphthalen-2-yl-2-oxidanylidene-ethyl)sulfanyl-1,2,4-triazol-3-yl]propyl]ethanamide Openeye Name: N-[3-[4-(4-bromophenyl)-5-[2-(2-naphthyl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]acetamide CAS Name: N-[3-[4-(4-bromophenyl)-5-[[2-(2-naphthalenyl)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]propyl]acetamide IUPAC Name: N-[3-[4-(4-bromophenyl)-5-(2-naphthalen-2-yl-2-oxoethyl)sulfanyl-1,2,4-triazol-3-yl]propyl]acetamide Traditional Name: N-[3-[4-(4-bromophenyl)-5-[[2-keto-2-(2-naphthyl)ethyl]thio]-1,2,4-triazol-3-yl]propyl]acetamide Formula: C25H23BrN4O2S MolecularWeight: 523.44472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCC1=NN=C(N1C2=CC=C(C=C2)Br)SCC(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC(=O)NCCCC1=NN=C(N1C2=CC=C(C=C2)Br)SCC(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H23BrN4O2S/c1-17(31)27-14-4-7-24-28-29-25(30(24)22-12-10-21(26)11-13-22)33-16-23(32)20-9-8-18-5-2-3-6-19(18)15-20/h2-3,5-6,8-13,15H,4,7,14,16H2,1H3,(H,27,31)