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

Systemtic Name: 2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)propan-1-one Openeye Name: 2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)propan-1-one CAS Name: 2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]thio]-1-(4-methoxyphenyl)-1-propanone IUPAC Name: 2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)propan-1-one Traditional Name: 2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]thio]-1-(4-methoxyphenyl)propan-1-one Formula: C18H23N3O2S MolecularWeight: 345.45912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)OC)SC2=NNC(=N2)CC3CCCC3

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)OC)SC2=NNC(=N2)CC3CCCC3

InChI

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