(3S,5R)-3-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-5-methyl-oxolan-2-one

Systemtic Name: (3S,5R)-3-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-5-methyl-oxolan-2-one Openeye Name: (3S,5R)-3-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-5-methyl-tetrahydrofuran-2-one CAS Name: (3S,5R)-3-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-5-methyl-2-oxolanone IUPAC Name: (3S,5R)-3-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-5-methyloxolan-2-one Traditional Name: (3S,5R)-3-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-5-methyl-tetrahydrofuran-2-one Formula: C13H15N3O2S2 MolecularWeight: 309.4071

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC2CC(OC2=O)C)C3=CC=CS3

Isomeric SMILES

CCN1C(=NN=C1S[C@H]2C[C@H](OC2=O)C)C3=CC=CS3

InChI

InChI=1S/C13H15N3O2S2/c1-3-16-11(9-5-4-6-19-9)14-15-13(16)20-10-7-8(2)18-12(10)17/h4-6,8,10H,3,7H2,1-2H3/t8-,10+/m1/s1