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

Systemtic Name: 2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-methyl-3-nitro-phenyl)ethanone Openeye Name: 2-[[5-(2-furylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-methyl-3-nitro-phenyl)ethanone CAS Name: 2-[[5-(2-furanylmethylamino)-1,3,4-thiadiazol-2-yl]thio]-1-(4-methyl-3-nitrophenyl)ethanone IUPAC Name: 2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-methyl-3-nitrophenyl)ethanone Traditional Name: 2-[[5-(2-furfurylamino)-1,3,4-thiadiazol-2-yl]thio]-1-(4-methyl-3-nitro-phenyl)ethanone Formula: C16H14N4O4S2 MolecularWeight: 390.43676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CSC2=NN=C(S2)NCC3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CSC2=NN=C(S2)NCC3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O4S2/c1-10-4-5-11(7-13(10)20(22)23)14(21)9-25-16-19-18-15(26-16)17-8-12-3-2-6-24-12/h2-7H,8-9H2,1H3,(H,17,18)