N-methyl-5-(8-nitroisoquinolin-5-yl)sulfanyl-1,3,4-thiadiazol-2-amine

Systemtic Name: N-methyl-5-(8-nitroisoquinolin-5-yl)sulfanyl-1,3,4-thiadiazol-2-amine Openeye Name: N-methyl-5-[(8-nitro-5-isoquinolyl)sulfanyl]-1,3,4-thiadiazol-2-amine CAS Name: N-methyl-5-[(8-nitro-5-isoquinolinyl)thio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-methyl-5-(8-nitroisoquinolin-5-yl)sulfanyl-1,3,4-thiadiazol-2-amine Traditional Name: methyl-[5-[(8-nitro-5-isoquinolyl)thio]-1,3,4-thiadiazol-2-yl]amine Formula: C12H9N5O2S2 MolecularWeight: 319.36216

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NN=C(S1)SC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CNC1=NN=C(S1)SC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H9N5O2S2/c1-13-11-15-16-12(21-11)20-10-3-2-9(17(18)19)8-6-14-5-4-7(8)10/h2-6H,1H3,(H,13,15)