2-chloranyl-N-[1-[4-(2,4-dichlorophenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]ethanamide

Systemtic Name: 2-chloranyl-N-[1-[4-(2,4-dichlorophenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]ethanamide Openeye Name: N-[1-[5-benzylsulfanyl-4-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-2-chloro-acetamide CAS Name: 2-chloro-N-[1-[4-(2,4-dichlorophenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]-2-phenylethyl]acetamide IUPAC Name: N-[1-[5-benzylsulfanyl-4-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]-2-phenylethyl]-2-chloroacetamide Traditional Name: N-[1-[5-(benzylthio)-4-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-2-chloro-acetamide Formula: C25H21Cl3N4OS MolecularWeight: 531.88444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C2=NN=C(N2C3=C(C=C(C=C3)Cl)Cl)SCC4=CC=CC=C4)NC(=O)CCl

Isomeric SMILES

C1=CC=C(C=C1)CC(C2=NN=C(N2C3=C(C=C(C=C3)Cl)Cl)SCC4=CC=CC=C4)NC(=O)CCl

InChI

InChI=1S/C25H21Cl3N4OS/c26-15-23(33)29-21(13-17-7-3-1-4-8-17)24-30-31-25(34-16-18-9-5-2-6-10-18)32(24)22-12-11-19(27)14-20(22)28/h1-12,14,21H,13,15-16H2,(H,29,33)