2-[4-(aminocarbonylamino)-5-methyl-3-sulfanyl-1,2,4-triazolidin-1-yl]ethanoic acid

Systemtic Name: 2-[4-(aminocarbonylamino)-5-methyl-3-sulfanyl-1,2,4-triazolidin-1-yl]ethanoic acid Openeye Name: 2-(5-methyl-3-sulfanyl-4-ureido-1,2,4-triazolidin-1-yl)acetic acid CAS Name: 2-[4-(carbamoylamino)-3-mercapto-5-methyl-1,2,4-triazolidin-1-yl]acetic acid IUPAC Name: 2-[4-(carbamoylamino)-5-methyl-3-sulfanyl-1,2,4-triazolidin-1-yl]acetic acid Traditional Name: 2-(3-mercapto-5-methyl-4-ureido-1,2,4-triazolidin-1-yl)acetic acid Formula: C6H13N5O3S MolecularWeight: 235.26412

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(NC(N1NC(=O)N)S)CC(=O)O

Isomeric SMILES

CC1N(NC(N1NC(=O)N)S)CC(=O)O

InChI

InChI=1S/C6H13N5O3S/c1-3-10(2-4(12)13)9-6(15)11(3)8-5(7)14/h3,6,9,15H,2H2,1H3,(H,12,13)(H3,7,8,14)