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

Systemtic Name: 1-[4-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[[5-(2-furylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[[5-(2-furanylmethylamino)-1,3,4-thiadiazol-2-yl]thio]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[[5-(2-furfurylamino)-1,3,4-thiadiazol-2-yl]thio]-3-nitro-phenyl]ethanone Formula: C15H12N4O4S2 MolecularWeight: 376.41018

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)SC2=NN=C(S2)NCC3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)SC2=NN=C(S2)NCC3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C15H12N4O4S2/c1-9(20)10-4-5-13(12(7-10)19(21)22)24-15-18-17-14(25-15)16-8-11-3-2-6-23-11/h2-7H,8H2,1H3,(H,16,17)