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

Systemtic Name: N-[[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]carbamothioyl]-3-phenyl-prop-2-enamide Openeye Name: N-[(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-3-phenyl-prop-2-enamide CAS Name: N-[[[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: N-[(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-3-phenylprop-2-enamide Traditional Name: N-[[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]thiocarbamoyl]-3-phenyl-acrylamide Formula: C20H19N5OS2 MolecularWeight: 409.52776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC(=S)NC(=O)C=CC2=CC=CC=C2)SCC3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(N1NC(=S)NC(=O)C=CC2=CC=CC=C2)SCC3=CC=CC=C3

InChI

InChI=1S/C20H19N5OS2/c1-15-22-23-20(28-14-17-10-6-3-7-11-17)25(15)24-19(27)21-18(26)13-12-16-8-4-2-5-9-16/h2-13H,14H2,1H3,(H2,21,24,26,27)