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

Systemtic Name: 2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methoxyphenyl)ethanone Openeye Name: 2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methoxyphenyl)ethanone CAS Name: 2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]thio]-1-(2-methoxyphenyl)ethanone IUPAC Name: 2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methoxyphenyl)ethanone Traditional Name: 2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]thio]-1-(2-methoxyphenyl)ethanone Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)CSC2=NNC(=N2)CC3CCCC3

Isomeric SMILES

COC1=CC=CC=C1C(=O)CSC2=NNC(=N2)CC3CCCC3

InChI

InChI=1S/C17H21N3O2S/c1-22-15-9-5-4-8-13(15)14(21)11-23-17-18-16(19-20-17)10-12-6-2-3-7-12/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3,(H,18,19,20)