(E)-3-thiophen-3-yl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]prop-2-enamide

Systemtic Name: (E)-3-thiophen-3-yl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]prop-2-enamide Openeye Name: (E)-3-(3-thienyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]prop-2-enamide CAS Name: (E)-3-(3-thiophenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-2-propenamide IUPAC Name: (E)-3-thiophen-3-yl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]prop-2-enamide Traditional Name: (E)-3-(3-thienyl)-N-[4-(1,2,4-triazol-1-ylmethyl)benzyl]acrylamide Formula: C17H16N4OS MolecularWeight: 324.40014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)C=CC2=CSC=C2)CN3C=NC=N3

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)/C=C/C2=CSC=C2)CN3C=NC=N3

InChI

InChI=1S/C17H16N4OS/c22-17(6-5-16-7-8-23-11-16)19-9-14-1-3-15(4-2-14)10-21-13-18-12-20-21/h1-8,11-13H,9-10H2,(H,19,22)/b6-5+