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

Systemtic Name: 1-(4-tert-butylphenyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(4-tert-butylphenyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(4-tert-butylphenyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-tert-butylphenyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-tert-butylphenyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C16H21N3OS MolecularWeight: 303.42244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)SCC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC1=NN=C(N1C)SCC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C16H21N3OS/c1-11-17-18-15(19(11)5)21-10-14(20)12-6-8-13(9-7-12)16(2,3)4/h6-9H,10H2,1-5H3