1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C19H19N3O3S2 MolecularWeight: 401.50246

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC3=C(C=C2)OCCCO3)C4=CC=CS4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC3=C(C=C2)OCCCO3)C4=CC=CS4

InChI

InChI=1S/C19H19N3O3S2/c1-2-22-18(17-5-3-10-26-17)20-21-19(22)27-12-14(23)13-6-7-15-16(11-13)25-9-4-8-24-15/h3,5-7,10-11H,2,4,8-9,12H2,1H3