5-methyl-1-(8-nitroisoquinolin-5-yl)sulfanyl-[1,2,4]triazolo[4,3-a]quinoline

Systemtic Name: 5-methyl-1-(8-nitroisoquinolin-5-yl)sulfanyl-[1,2,4]triazolo[4,3-a]quinoline Openeye Name: 5-methyl-1-[(8-nitro-5-isoquinolyl)sulfanyl]-[1,2,4]triazolo[4,3-a]quinoline CAS Name: 5-methyl-1-[(8-nitro-5-isoquinolinyl)thio]-[1,2,4]triazolo[4,3-a]quinoline IUPAC Name: 5-methyl-1-(8-nitroisoquinolin-5-yl)sulfanyl-[1,2,4]triazolo[4,3-a]quinoline Traditional Name: 5-methyl-1-[(8-nitro-5-isoquinolyl)thio]-[1,2,4]triazolo[4,3-a]quinoline Formula: C20H13N5O2S MolecularWeight: 387.41452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN=C(N2C3=CC=CC=C13)SC4=C5C=CN=CC5=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=NN=C(N2C3=CC=CC=C13)SC4=C5C=CN=CC5=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H13N5O2S/c1-12-10-19-22-23-20(24(19)16-5-3-2-4-13(12)16)28-18-7-6-17(25(26)27)15-11-21-9-8-14(15)18/h2-11H,1H3