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

Systemtic Name: N-[1-[4-[2,5-bis(chloranyl)phenyl]-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-4-tert-butyl-benzamide Openeye Name: N-[1-[5-benzylsulfanyl-4-(2,5-dichlorophenyl)-1,2,4-triazol-3-yl]ethyl]-4-tert-butyl-benzamide CAS Name: 4-tert-butyl-N-[1-[4-(2,5-dichlorophenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]ethyl]benzamide IUPAC Name: N-[1-[5-benzylsulfanyl-4-(2,5-dichlorophenyl)-1,2,4-triazol-3-yl]ethyl]-4-tert-butylbenzamide Traditional Name: N-[1-[5-(benzylthio)-4-(2,5-dichlorophenyl)-1,2,4-triazol-3-yl]ethyl]-4-tert-butyl-benzamide Formula: C28H28Cl2N4OS MolecularWeight: 539.51912

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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)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC(C1=NN=C(N1C2=C(C=CC(=C2)Cl)Cl)SCC3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C28H28Cl2N4OS/c1-18(31-26(35)20-10-12-21(13-11-20)28(2,3)4)25-32-33-27(36-17-19-8-6-5-7-9-19)34(25)24-16-22(29)14-15-23(24)30/h5-16,18H,17H2,1-4H3,(H,31,35)