1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4,6,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4,6,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4,6,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4,6,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]ethanone IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4,6,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4,6,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]ethanone Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C3=NN=C(N3C2=C(C=C1)C)SCC(=O)C4=CC5=C(C=C4)OCCO5)C

Isomeric SMILES

CC1=C2C=C(C3=NN=C(N3C2=C(C=C1)C)SCC(=O)C4=CC5=C(C=C4)OCCO5)C

InChI

InChI=1S/C23H21N3O3S/c1-13-4-5-14(2)21-17(13)10-15(3)22-24-25-23(26(21)22)30-12-18(27)16-6-7-19-20(11-16)29-9-8-28-19/h4-7,10-11H,8-9,12H2,1-3H3