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

Systemtic Name: (E)-N-[[3-ethyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]carbamothioyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[(3-benzylsulfanyl-5-ethyl-1,2,4-triazol-4-yl)carbamothioyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[[[3-ethyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[(3-benzylsulfanyl-5-ethyl-1,2,4-triazol-4-yl)carbamothioyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[[3-(benzylthio)-5-ethyl-1,2,4-triazol-4-yl]thiocarbamoyl]-3-phenyl-acrylamide Formula: C21H21N5OS2 MolecularWeight: 423.55434

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1NC(=S)NC(=O)C=CC2=CC=CC=C2)SCC3=CC=CC=C3

Isomeric SMILES

CCC1=NN=C(N1NC(=S)NC(=O)/C=C/C2=CC=CC=C2)SCC3=CC=CC=C3

InChI

InChI=1S/C21H21N5OS2/c1-2-18-23-24-21(29-15-17-11-7-4-8-12-17)26(18)25-20(28)22-19(27)14-13-16-9-5-3-6-10-16/h3-14H,2,15H2,1H3,(H2,22,25,27,28)/b14-13+