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

Systemtic Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethylphenyl)ethanone Openeye Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethylphenyl)ethanone CAS Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]-1-(2,5-dimethylphenyl)ethanone IUPAC Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethylphenyl)ethanone Traditional Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]-1-(2,5-dimethylphenyl)ethanone Formula: C17H21N3OS MolecularWeight: 315.43314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CSC2=NNC(=N2)C3CCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CSC2=NNC(=N2)C3CCCC3

InChI

InChI=1S/C17H21N3OS/c1-11-7-8-12(2)14(9-11)15(21)10-22-17-18-16(19-20-17)13-5-3-4-6-13/h7-9,13H,3-6,10H2,1-2H3,(H,18,19,20)