3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]sulfanyl-4-pyridin-3-yl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]sulfanyl-4-pyridin-3-yl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl]sulfanyl-4-(3-pyridyl)-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]thio]-4-(3-pyridinyl)-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl-4-pyridin-3-yl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl]thio]-4-(3-pyridyl)-1H-1,2,4-triazol-5-one Formula: C17H14N4O4S MolecularWeight: 370.38246

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)CSC3=NNC(=O)N3C4=CN=CC=C4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)CSC3=NNC(=O)N3C4=CN=CC=C4

InChI

InChI=1S/C17H14N4O4S/c22-13(11-3-4-14-15(8-11)25-7-6-24-14)10-26-17-20-19-16(23)21(17)12-2-1-5-18-9-12/h1-5,8-9H,6-7,10H2,(H,19,23)