N-[[3-ethyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide

Systemtic Name: N-[[3-ethyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Openeye Name: N-[(3-benzylsulfanyl-5-ethyl-1,2,4-triazol-4-yl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide CAS Name: N-[[[3-ethyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]-5-(3-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[(3-benzylsulfanyl-5-ethyl-1,2,4-triazol-4-yl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Traditional Name: N-[[3-(benzylthio)-5-ethyl-1,2,4-triazol-4-yl]thiocarbamoyl]-5-(3-nitrophenyl)-2-furamide Formula: C23H20N6O4S2 MolecularWeight: 508.5727

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1NC(=S)NC(=O)C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])SCC4=CC=CC=C4

Isomeric SMILES

CCC1=NN=C(N1NC(=S)NC(=O)C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])SCC4=CC=CC=C4

InChI

InChI=1S/C23H20N6O4S2/c1-2-20-25-26-23(35-14-15-7-4-3-5-8-15)28(20)27-22(34)24-21(30)19-12-11-18(33-19)16-9-6-10-17(13-16)29(31)32/h3-13H,2,14H2,1H3,(H2,24,27,30,34)