2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(propylcarbamoyl)ethanamide

Systemtic Name: 2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(propylcarbamoyl)ethanamide Openeye Name: 2-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(propylcarbamoyl)acetamide CAS Name: N-[oxo(propylamino)methyl]-2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(propylcarbamoyl)acetamide Traditional Name: 2-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-(propylcarbamoyl)acetamide Formula: C19H21N5O2S2 MolecularWeight: 415.53234

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=CS3

Isomeric SMILES

CCCNC(=O)NC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=CS3

InChI

InChI=1S/C19H21N5O2S2/c1-2-10-20-18(26)21-16(25)13-28-19-23-22-17(15-9-6-11-27-15)24(19)12-14-7-4-3-5-8-14/h3-9,11H,2,10,12-13H2,1H3,(H2,20,21,25,26)