4-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-benzenecarbonitrile Openeye Name: 4-[[5-(2-furylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-benzonitrile CAS Name: 4-[[5-(2-furanylmethylamino)-1,3,4-thiadiazol-2-yl]thio]-3-nitrobenzonitrile IUPAC Name: 4-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitrobenzonitrile Traditional Name: 4-[[5-(2-furfurylamino)-1,3,4-thiadiazol-2-yl]thio]-3-nitro-benzonitrile Formula: C14H9N5O3S2 MolecularWeight: 359.38296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H9N5O3S2/c15-7-9-3-4-12(11(6-9)19(20)21)23-14-18-17-13(24-14)16-8-10-2-1-5-22-10/h1-6H,8H2,(H,16,17)