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

Systemtic Name: 1-(4-tert-butylphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: 1-(4-tert-butylphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one CAS Name: 1-(4-tert-butylphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: 1-(4-tert-butylphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 1-(4-tert-butylphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]propan-1-one Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)C(C)(C)C)SC2=NN=CN2C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)C(C)(C)C)SC2=NN=CN2C3=CC=CC=C3

InChI

InChI=1S/C21H23N3OS/c1-15(19(25)16-10-12-17(13-11-16)21(2,3)4)26-20-23-22-14-24(20)18-8-6-5-7-9-18/h5-15H,1-4H3