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

Systemtic Name: 3-[[4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one Openeye Name: 3-[[4-(4-ethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]tetrahydrofuran-2-one CAS Name: 3-[[4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-2-oxolanone IUPAC Name: 3-[[4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one Traditional Name: 3-[[4-(4-ethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]tetrahydrofuran-2-one Formula: C19H18N4O2S MolecularWeight: 366.43682

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=NN=C2SC3CCOC3=O)C4=CC=NC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=NN=C2SC3CCOC3=O)C4=CC=NC=C4

InChI

InChI=1S/C19H18N4O2S/c1-2-13-3-5-15(6-4-13)23-17(14-7-10-20-11-8-14)21-22-19(23)26-16-9-12-25-18(16)24/h3-8,10-11,16H,2,9,12H2,1H3