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

Systemtic Name: N-[1-[4-[2,5-bis(chloranyl)phenyl]-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-4-chloranyl-butanamide Openeye Name: N-[1-[5-benzylsulfanyl-4-(2,5-dichlorophenyl)-1,2,4-triazol-3-yl]ethyl]-4-chloro-butanamide CAS Name: 4-chloro-N-[1-[4-(2,5-dichlorophenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]ethyl]butanamide IUPAC Name: N-[1-[5-benzylsulfanyl-4-(2,5-dichlorophenyl)-1,2,4-triazol-3-yl]ethyl]-4-chlorobutanamide Traditional Name: N-[1-[5-(benzylthio)-4-(2,5-dichlorophenyl)-1,2,4-triazol-3-yl]ethyl]-4-chloro-butyramide Formula: C21H21Cl3N4OS MolecularWeight: 483.84164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(N1C2=C(C=CC(=C2)Cl)Cl)SCC3=CC=CC=C3)NC(=O)CCCCl

Isomeric SMILES

CC(C1=NN=C(N1C2=C(C=CC(=C2)Cl)Cl)SCC3=CC=CC=C3)NC(=O)CCCCl

InChI

InChI=1S/C21H21Cl3N4OS/c1-14(25-19(29)8-5-11-22)20-26-27-21(30-13-15-6-3-2-4-7-15)28(20)18-12-16(23)9-10-17(18)24/h2-4,6-7,9-10,12,14H,5,8,11,13H2,1H3,(H,25,29)