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

Systemtic Name: N-(furan-2-ylmethyl)-5-(8-nitroisoquinolin-5-yl)sulfanyl-1,3,4-thiadiazol-2-amine Openeye Name: N-(2-furylmethyl)-5-[(8-nitro-5-isoquinolyl)sulfanyl]-1,3,4-thiadiazol-2-amine CAS Name: N-(2-furanylmethyl)-5-[(8-nitro-5-isoquinolinyl)thio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-(furan-2-ylmethyl)-5-(8-nitroisoquinolin-5-yl)sulfanyl-1,3,4-thiadiazol-2-amine Traditional Name: 2-furfuryl-[5-[(8-nitro-5-isoquinolyl)thio]-1,3,4-thiadiazol-2-yl]amine Formula: C16H11N5O3S2 MolecularWeight: 385.42024

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC2=NN=C(S2)SC3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=COC(=C1)CNC2=NN=C(S2)SC3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H11N5O3S2/c22-21(23)13-3-4-14(11-5-6-17-9-12(11)13)25-16-20-19-15(26-16)18-8-10-2-1-7-24-10/h1-7,9H,8H2,(H,18,19)