2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopropylcarbamoyl)propanamide

Systemtic Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopropylcarbamoyl)propanamide Openeye Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopropylcarbamoyl)propanamide CAS Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]-N-[(cyclopropylamino)-oxomethyl]propanamide IUPAC Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopropylcarbamoyl)propanamide Traditional Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]-N-(cyclopropylcarbamoyl)propionamide Formula: C13H21N5O2S MolecularWeight: 311.40314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CC1)SC2=NNC(=N2)C(C)(C)C

Isomeric SMILES

CC(C(=O)NC(=O)NC1CC1)SC2=NNC(=N2)C(C)(C)C

InChI

InChI=1S/C13H21N5O2S/c1-7(9(19)15-11(20)14-8-5-6-8)21-12-16-10(17-18-12)13(2,3)4/h7-8H,5-6H2,1-4H3,(H,16,17,18)(H2,14,15,19,20)