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

Systemtic Name: 1-[[5-(4-tert-butylphenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Openeye Name: 1-[[4-benzyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1-[[5-(4-tert-butylphenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-2-propanone IUPAC Name: 1-[[4-benzyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Traditional Name: 1-[[4-benzyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]acetone Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H25N3OS/c1-16(26)15-27-21-24-23-20(25(21)14-17-8-6-5-7-9-17)18-10-12-19(13-11-18)22(2,3)4/h5-13H,14-15H2,1-4H3