N-(tert-butylcarbamoyl)-2-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-(tert-butylcarbamoyl)-2-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(tert-butylcarbamoyl)-2-[[4-[2-(2-thienyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-[(tert-butylamino)-oxomethyl]-2-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(tert-butylcarbamoyl)-2-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(tert-butylcarbamoyl)-2-[[4-[2-(2-thienyl)ethyl]-1,2,4-triazol-3-yl]thio]propionamide Formula: C16H23N5O2S2 MolecularWeight: 381.51612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC(C)(C)C)SC1=NN=CN1CCC2=CC=CS2

Isomeric SMILES

CC(C(=O)NC(=O)NC(C)(C)C)SC1=NN=CN1CCC2=CC=CS2

InChI

InChI=1S/C16H23N5O2S2/c1-11(13(22)18-14(23)19-16(2,3)4)25-15-20-17-10-21(15)8-7-12-6-5-9-24-12/h5-6,9-11H,7-8H2,1-4H3,(H2,18,19,22,23)