N-(tert-butylcarbamoyl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(tert-butylcarbamoyl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(tert-butylcarbamoyl)acetamide CAS Name: N-[(tert-butylamino)-oxomethyl]-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(tert-butylcarbamoyl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]-N-(tert-butylcarbamoyl)acetamide Formula: C13H21N5O2S MolecularWeight: 311.40314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC=C)SCC(=O)NC(=O)NC(C)(C)C

Isomeric SMILES

CC1=NN=C(N1CC=C)SCC(=O)NC(=O)NC(C)(C)C

InChI

InChI=1S/C13H21N5O2S/c1-6-7-18-9(2)16-17-12(18)21-8-10(19)14-11(20)15-13(3,4)5/h6H,1,7-8H2,2-5H3,(H2,14,15,19,20)