4-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]benzamide

Systemtic Name: 4-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]benzamide Openeye Name: 4-[2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]benzamide CAS Name: 4-[[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]benzamide Traditional Name: 4-[2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]propanoylamino]benzamide Formula: C18H19N5O2S2 MolecularWeight: 401.50576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)NC2=CC=C(C=C2)C(=O)N)C3=CC=CS3

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)NC2=CC=C(C=C2)C(=O)N)C3=CC=CS3

InChI

InChI=1S/C18H19N5O2S2/c1-3-23-16(14-5-4-10-26-14)21-22-18(23)27-11(2)17(25)20-13-8-6-12(7-9-13)15(19)24/h4-11H,3H2,1-2H3,(H2,19,24)(H,20,25)