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

Systemtic Name: 1-(4-tert-butylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: 1-(4-tert-butylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one CAS Name: 1-(4-tert-butylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: 1-(4-tert-butylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 1-(4-tert-butylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)thio]propan-1-one Formula: C16H21N3OS MolecularWeight: 303.42244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)C(C)(C)C)SC2=NN=CN2C

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)C(C)(C)C)SC2=NN=CN2C

InChI

InChI=1S/C16H21N3OS/c1-11(21-15-18-17-10-19(15)5)14(20)12-6-8-13(9-7-12)16(2,3)4/h6-11H,1-5H3