2-[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-3,3-dimethyl-butanoic acid

Systemtic Name: 2-[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-3,3-dimethyl-butanoic acid Openeye Name: 2-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-3,3-dimethyl-butanoic acid CAS Name: 2-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-3,3-dimethylbutanoic acid IUPAC Name: 2-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-3,3-dimethylbutanoic acid Traditional Name: 2-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-3,3-dimethyl-butyric acid Formula: C13H20N4O3S MolecularWeight: 312.3879

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)O)NC(=O)CSC1=NN=CN1C2CC2

Isomeric SMILES

CC(C)(C)C(C(=O)O)NC(=O)CSC1=NN=CN1C2CC2

InChI

InChI=1S/C13H20N4O3S/c1-13(2,3)10(11(19)20)15-9(18)6-21-12-16-14-7-17(12)8-4-5-8/h7-8,10H,4-6H2,1-3H3,(H,15,18)(H,19,20)