2-[[5-(4-tert-butylphenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-chlorophenyl)ethanone

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-chlorophenyl)ethanone Openeye Name: 2-[[4-benzyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-chlorophenyl)ethanone CAS Name: 2-[[5-(4-tert-butylphenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-(4-chlorophenyl)ethanone IUPAC Name: 2-[[4-benzyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-chlorophenyl)ethanone Traditional Name: 2-[[4-benzyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]-1-(4-chlorophenyl)ethanone Formula: C27H26ClN3OS MolecularWeight: 476.03284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CC=C3)SCC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CC=C3)SCC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H26ClN3OS/c1-27(2,3)22-13-9-21(10-14-22)25-29-30-26(31(25)17-19-7-5-4-6-8-19)33-18-24(32)20-11-15-23(28)16-12-20/h4-16H,17-18H2,1-3H3