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

Systemtic Name: 2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethoxyphenyl)ethanone Openeye Name: 2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethoxyphenyl)ethanone CAS Name: 2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]thio]-1-(4-ethoxyphenyl)ethanone IUPAC Name: 2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethoxyphenyl)ethanone Traditional Name: 2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]thio]-1-p-phenetyl-ethanone Formula: C18H23N3O2S MolecularWeight: 345.45912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)CC3CCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)CC3CCCC3

InChI

InChI=1S/C18H23N3O2S/c1-2-23-15-9-7-14(8-10-15)16(22)12-24-18-19-17(20-21-18)11-13-5-3-4-6-13/h7-10,13H,2-6,11-12H2,1H3,(H,19,20,21)