N-aminocarbonyl-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-aminocarbonyl-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-carbamoyl-2-[[5-(2-thienylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-carbamoyl-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-carbamoyl-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-carbamoyl-2-[[5-(2-thenyl)-1H-1,2,4-triazol-3-yl]thio]propionamide Formula: C11H13N5O2S2 MolecularWeight: 311.38322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)N)SC1=NNC(=N1)CC2=CC=CS2

Isomeric SMILES

CC(C(=O)NC(=O)N)SC1=NNC(=N1)CC2=CC=CS2

InChI

InChI=1S/C11H13N5O2S2/c1-6(9(17)14-10(12)18)20-11-13-8(15-16-11)5-7-3-2-4-19-7/h2-4,6H,5H2,1H3,(H,13,15,16)(H3,12,14,17,18)