2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-4H-1,3,4-benzoxadiazepin-5-one

Systemtic Name: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-4H-1,3,4-benzoxadiazepin-5-one Openeye Name: 2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4H-1,3,4-benzoxadiazepin-5-one CAS Name: 2-[[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]-4H-1,3,4-benzoxadiazepin-5-one IUPAC Name: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-4H-1,3,4-benzoxadiazepin-5-one Traditional Name: 2-[[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-4H-1,3,4-benzoxadiazepin-5-one Formula: C18H16N6O2S MolecularWeight: 380.42364

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=NNC(=O)C3=CC=CC=C3O2)C4=CC=NC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC2=NNC(=O)C3=CC=CC=C3O2)C4=CC=NC=C4

InChI

InChI=1S/C18H16N6O2S/c1-2-24-16(12-7-9-19-10-8-12)21-23-18(24)27-11-15-20-22-17(25)13-5-3-4-6-14(13)26-15/h3-10H,2,11H2,1H3,(H,22,25)