(E)-N-[[5-methylsulfanyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]methyl]-3-thiophen-2-yl-prop-2-enamide

Systemtic Name: (E)-N-[[5-methylsulfanyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]methyl]-3-thiophen-2-yl-prop-2-enamide Openeye Name: (E)-N-[(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]-3-(2-thienyl)prop-2-enamide CAS Name: (E)-N-[[5-(methylthio)-4-(phenylmethyl)-1,2,4-triazol-3-yl]methyl]-3-thiophen-2-yl-2-propenamide IUPAC Name: (E)-N-[(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]-3-thiophen-2-ylprop-2-enamide Traditional Name: (E)-N-[[4-benzyl-5-(methylthio)-1,2,4-triazol-3-yl]methyl]-3-(2-thienyl)acrylamide Formula: C18H18N4OS2 MolecularWeight: 370.49172

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(N1CC2=CC=CC=C2)CNC(=O)C=CC3=CC=CS3

Isomeric SMILES

CSC1=NN=C(N1CC2=CC=CC=C2)CNC(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C18H18N4OS2/c1-24-18-21-20-16(22(18)13-14-6-3-2-4-7-14)12-19-17(23)10-9-15-8-5-11-25-15/h2-11H,12-13H2,1H3,(H,19,23)/b10-9+