4-chloranyl-N-[[5-(2-naphthalen-2-yl-2-oxidanylidene-ethyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide

Systemtic Name: 4-chloranyl-N-[[5-(2-naphthalen-2-yl-2-oxidanylidene-ethyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 4-chloro-N-[[5-[2-(2-naphthyl)-2-oxo-ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 4-chloro-N-[[5-[[2-(2-naphthalenyl)-2-oxoethyl]thio]-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 4-chloro-N-[[5-(2-naphthalen-2-yl-2-oxoethyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: 4-chloro-N-[[5-[[2-keto-2-(2-naphthyl)ethyl]thio]-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide Formula: C28H21ClN4O2S MolecularWeight: 513.00994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC4=CC=CC=C4C=C3)CNC(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC4=CC=CC=C4C=C3)CNC(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C28H21ClN4O2S/c29-23-14-12-20(13-15-23)27(35)30-17-26-31-32-28(33(26)24-8-2-1-3-9-24)36-18-25(34)22-11-10-19-6-4-5-7-21(19)16-22/h1-16H,17-18H2,(H,30,35)