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

Systemtic Name: 2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-propanamide Openeye Name: 2-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-propanamide CAS Name: 2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-N-propylpropanamide IUPAC Name: 2-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpropanamide Traditional Name: 2-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-propyl-propionamide Formula: C19H22N4OS2 MolecularWeight: 386.53418

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)SC1=NN=C(N1CC2=CC=CC=C2)C3=CC=CS3

Isomeric SMILES

CCCNC(=O)C(C)SC1=NN=C(N1CC2=CC=CC=C2)C3=CC=CS3

InChI

InChI=1S/C19H22N4OS2/c1-3-11-20-18(24)14(2)26-19-22-21-17(16-10-7-12-25-16)23(19)13-15-8-5-4-6-9-15/h4-10,12,14H,3,11,13H2,1-2H3,(H,20,24)