3-[(3R,5S)-5-methyl-2-oxidanylidene-oxolan-3-yl]sulfanyl-4-(phenylmethyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(3R,5S)-5-methyl-2-oxidanylidene-oxolan-3-yl]sulfanyl-4-(phenylmethyl)-1H-1,2,4-triazol-5-one Openeye Name: 4-benzyl-3-[(3R,5S)-5-methyl-2-oxo-tetrahydrofuran-3-yl]sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[(3R,5S)-5-methyl-2-oxo-3-oxolanyl]thio]-4-(phenylmethyl)-1H-1,2,4-triazol-5-one IUPAC Name: 4-benzyl-3-[(3R,5S)-5-methyl-2-oxooxolan-3-yl]sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-benzyl-3-[[(3R,5S)-2-keto-5-methyl-tetrahydrofuran-3-yl]thio]-1H-1,2,4-triazol-5-one Formula: C14H15N3O3S MolecularWeight: 305.3522

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(=O)O1)SC2=NNC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

C[C@H]1C[C@H](C(=O)O1)SC2=NNC(=O)N2CC3=CC=CC=C3

InChI

InChI=1S/C14H15N3O3S/c1-9-7-11(12(18)20-9)21-14-16-15-13(19)17(14)8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H,15,19)/t9-,11+/m0/s1