1-(4-pentadecylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone

Systemtic Name: 1-(4-pentadecylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Openeye Name: 1-(4-pentadecylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone CAS Name: 1-(4-pentadecylphenyl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone IUPAC Name: 1-(4-pentadecylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Traditional Name: 1-(4-pentadecylphenyl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone Formula: C25H39N3OS MolecularWeight: 429.66166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=CC=C(C=C1)C(=O)CSC2=NC=NN2

Isomeric SMILES

CCCCCCCCCCCCCCCC1=CC=C(C=C1)C(=O)CSC2=NC=NN2

InChI

InChI=1S/C25H39N3OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-16-18-23(19-17-22)24(29)20-30-25-26-21-27-28-25/h16-19,21H,2-15,20H2,1H3,(H,26,27,28)