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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SC3CCOC3=O)C4=CC=NC=C4

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SC3CCOC3=O)C4=CC=NC=C4

InChI

InChI=1S/C18H16N4O2S/c1-12-4-2-3-5-14(12)22-16(13-6-9-19-10-7-13)20-21-18(22)25-15-8-11-24-17(15)23/h2-7,9-10,15H,8,11H2,1H3