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

Systemtic Name: (3R,5S)-3-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-5-methyl-oxolan-2-one Openeye Name: (3R,5S)-3-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-5-methyl-tetrahydrofuran-2-one CAS Name: (3R,5S)-3-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]-5-methyl-2-oxolanone IUPAC Name: (3R,5S)-3-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-5-methyloxolan-2-one Traditional Name: (3R,5S)-3-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]-5-methyl-tetrahydrofuran-2-one Formula: C19H23N3O2S MolecularWeight: 357.46982

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(=O)O1)SC2=NN(C(=N2)C3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

C[C@H]1C[C@H](C(=O)O1)SC2=NN(C(=N2)C3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C19H23N3O2S/c1-13-12-16(18(23)24-13)25-19-20-17(14-8-4-2-5-9-14)22(21-19)15-10-6-3-7-11-15/h3,6-7,10-11,13-14,16H,2,4-5,8-9,12H2,1H3/t13-,16+/m0/s1