(2S)-1-(4-ethoxyphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one

Systemtic Name: (2S)-1-(4-ethoxyphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: (2S)-1-(4-ethoxyphenyl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: (2S)-1-(4-ethoxyphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: (2S)-1-(4-ethoxyphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: (2S)-1-p-phenetyl-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C17H17N3O2S2 MolecularWeight: 359.46578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C(C)SC2=NNC(=N2)C3=CC=CS3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)[C@H](C)SC2=NNC(=N2)C3=CC=CS3

InChI

InChI=1S/C17H17N3O2S2/c1-3-22-13-8-6-12(7-9-13)15(21)11(2)24-17-18-16(19-20-17)14-5-4-10-23-14/h4-11H,3H2,1-2H3,(H,18,19,20)/t11-/m0/s1