1-(4-hexylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(4-hexylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(4-hexylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(4-hexylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-hexylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-hexylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]ethanone Formula: C17H23N3OS MolecularWeight: 317.44902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)C

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)C

InChI

InChI=1S/C17H23N3OS/c1-3-4-5-6-7-14-8-10-15(11-9-14)16(21)12-22-17-18-13(2)19-20-17/h8-11H,3-7,12H2,1-2H3,(H,18,19,20)