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

Systemtic Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4-dimethoxyphenyl)ethanone Openeye Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4-dimethoxyphenyl)ethanone CAS Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]-1-(2,4-dimethoxyphenyl)ethanone IUPAC Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4-dimethoxyphenyl)ethanone Traditional Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]-1-(2,4-dimethoxyphenyl)ethanone Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)CSC2=NNC(=N2)C3CCCC3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)CSC2=NNC(=N2)C3CCCC3)OC

InChI

InChI=1S/C17H21N3O3S/c1-22-12-7-8-13(15(9-12)23-2)14(21)10-24-17-18-16(19-20-17)11-5-3-4-6-11/h7-9,11H,3-6,10H2,1-2H3,(H,18,19,20)