(3S)-3-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one

Systemtic Name: (3S)-3-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one Openeye Name: (3S)-3-[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]tetrahydrofuran-2-one CAS Name: (3S)-3-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-2-oxolanone IUPAC Name: (3S)-3-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]oxolan-2-one Traditional Name: (3S)-3-[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]tetrahydrofuran-2-one Formula: C18H16N4O2S MolecularWeight: 352.41024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC(=O)C1SC2=NN=C(N2CC3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

C1COC(=O)[C@H]1SC2=NN=C(N2CC3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C18H16N4O2S/c23-17-15(8-11-24-17)25-18-21-20-16(14-6-9-19-10-7-14)22(18)12-13-4-2-1-3-5-13/h1-7,9-10,15H,8,11-12H2/t15-/m0/s1