(E)-N-[[4-(2,4-dichlorophenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-3-phenyl-prop-2-enamide

Systemtic Name: (E)-N-[[4-(2,4-dichlorophenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[[5-benzylsulfanyl-4-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]methyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[[4-(2,4-dichlorophenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]methyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[[5-benzylsulfanyl-4-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]methyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[[5-(benzylthio)-4-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]methyl]-3-phenyl-acrylamide Formula: C25H20Cl2N4OS MolecularWeight: 495.4235

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=C(N2C3=C(C=C(C=C3)Cl)Cl)CNC(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=C(N2C3=C(C=C(C=C3)Cl)Cl)CNC(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C25H20Cl2N4OS/c26-20-12-13-22(21(27)15-20)31-23(16-28-24(32)14-11-18-7-3-1-4-8-18)29-30-25(31)33-17-19-9-5-2-6-10-19/h1-15H,16-17H2,(H,28,32)/b14-11+