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

Systemtic Name: (3R,5S)-3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-5-methyl-oxolan-2-one Openeye Name: (3R,5S)-3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-5-methyl-tetrahydrofuran-2-one CAS Name: (3R,5S)-3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-5-methyl-2-oxolanone IUPAC Name: (3R,5S)-3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-5-methyloxolan-2-one Traditional Name: (3R,5S)-3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-5-methyl-tetrahydrofuran-2-one Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(=O)O1)SC2=NN=C(N2C3=CC=CC=C3)C4CC4

Isomeric SMILES

C[C@H]1C[C@H](C(=O)O1)SC2=NN=C(N2C3=CC=CC=C3)C4CC4

InChI

InChI=1S/C16H17N3O2S/c1-10-9-13(15(20)21-10)22-16-18-17-14(11-7-8-11)19(16)12-5-3-2-4-6-12/h2-6,10-11,13H,7-9H2,1H3/t10-,13+/m0/s1