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

Systemtic Name: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(phenylmethyl)carbamoyl]propanamide Openeye Name: N-(benzylcarbamoyl)-2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-N-[oxo-[(phenylmethyl)amino]methyl]propanamide IUPAC Name: N-(benzylcarbamoyl)-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(benzylcarbamoyl)-2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C19H21N5O2S2 MolecularWeight: 415.53234

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)NC(=O)NCC2=CC=CC=C2)C3=CC=CS3

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)NC(=O)NCC2=CC=CC=C2)C3=CC=CS3

InChI

InChI=1S/C19H21N5O2S2/c1-3-24-16(15-10-7-11-27-15)22-23-19(24)28-13(2)17(25)21-18(26)20-12-14-8-5-4-6-9-14/h4-11,13H,3,12H2,1-2H3,(H2,20,21,25,26)