5-(2-nitrophenyl)-N-[[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-(2-nitrophenyl)-N-[[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]carbamothioyl]furan-2-carboxamide Openeye Name: 5-(2-nitrophenyl)-N-[[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]carbamothioyl]furan-2-carboxamide CAS Name: 5-(2-nitrophenyl)-N-[[[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(2-nitrophenyl)-N-[[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]carbamothioyl]furan-2-carboxamide Traditional Name: 5-(2-nitrophenyl)-N-[[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]thiocarbamoyl]-2-furamide Formula: C21H15N5O5S2 MolecularWeight: 481.5043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=NN=C(S2)NC(=S)NC(=O)C3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OCC2=NN=C(S2)NC(=S)NC(=O)C3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H15N5O5S2/c27-19(17-11-10-16(31-17)14-8-4-5-9-15(14)26(28)29)22-20(32)23-21-25-24-18(33-21)12-30-13-6-2-1-3-7-13/h1-11H,12H2,(H2,22,23,25,27,32)