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

Systemtic Name: N-(2-methoxyethyl)-5-(8-nitroisoquinolin-5-yl)sulfanyl-1,3,4-thiadiazol-2-amine Openeye Name: N-(2-methoxyethyl)-5-[(8-nitro-5-isoquinolyl)sulfanyl]-1,3,4-thiadiazol-2-amine CAS Name: N-(2-methoxyethyl)-5-[(8-nitro-5-isoquinolinyl)thio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-(2-methoxyethyl)-5-(8-nitroisoquinolin-5-yl)sulfanyl-1,3,4-thiadiazol-2-amine Traditional Name: 2-methoxyethyl-[5-[(8-nitro-5-isoquinolyl)thio]-1,3,4-thiadiazol-2-yl]amine Formula: C14H13N5O3S2 MolecularWeight: 363.41472

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=NN=C(S1)SC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COCCNC1=NN=C(S1)SC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H13N5O3S2/c1-22-7-6-16-13-17-18-14(24-13)23-12-3-2-11(19(20)21)10-8-15-5-4-9(10)12/h2-5,8H,6-7H2,1H3,(H,16,17)