3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-[[4-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl]prop-2-enamide

Systemtic Name: 3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-[[4-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl]prop-2-enamide Openeye Name: 3-[5-(2,4-dichlorophenyl)-2-furyl]-N-[[4-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl]prop-2-enamide CAS Name: 3-[5-(2,4-dichlorophenyl)-2-furanyl]-N-[[4-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: 3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-[[4-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl]prop-2-enamide Traditional Name: 3-[5-(2,4-dichlorophenyl)-2-furyl]-N-[[4-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]thiocarbamoyl]acrylamide Formula: C25H18Cl2N6O2S2 MolecularWeight: 569.48542

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C2N1N=C(S2)C3=CC=C(C=C3)NC(=S)NC(=O)C=CC4=CC=C(O4)C5=C(C=C(C=C5)Cl)Cl

Isomeric SMILES

CCC1=NN=C2N1N=C(S2)C3=CC=C(C=C3)NC(=S)NC(=O)C=CC4=CC=C(O4)C5=C(C=C(C=C5)Cl)Cl

InChI

InChI=1S/C25H18Cl2N6O2S2/c1-2-21-30-31-25-33(21)32-23(37-25)14-3-6-16(7-4-14)28-24(36)29-22(34)12-9-17-8-11-20(35-17)18-10-5-15(26)13-19(18)27/h3-13H,2H2,1H3,(H2,28,29,34,36)