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

Systemtic Name: (3S,5R)-3-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-5-methyl-oxolan-2-one Openeye Name: (3S,5R)-3-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-5-methyl-tetrahydrofuran-2-one CAS Name: (3S,5R)-3-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-5-methyl-2-oxolanone IUPAC Name: (3S,5R)-3-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-5-methyloxolan-2-one Traditional Name: (3S,5R)-3-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-5-methyl-tetrahydrofuran-2-one Formula: C15H17N3O2S MolecularWeight: 303.37938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O2S/c1-3-18-13(11-7-5-4-6-8-11)16-17-15(18)21-12-9-10(2)20-14(12)19/h4-8,10,12H,3,9H2,1-2H3/t10-,12+/m1/s1