2-[[5-(pentan-3-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-(pentan-3-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(1-ethylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(pentan-3-ylamino)-1,3,4-thiadiazol-2-yl]thio]acetic acid IUPAC Name: 2-[[5-(pentan-3-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(1-ethylpropylamino)-1,3,4-thiadiazol-2-yl]thio]acetic acid Formula: C9H15N3O2S2 MolecularWeight: 261.3643

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC1=NN=C(S1)SCC(=O)O

Isomeric SMILES

CCC(CC)NC1=NN=C(S1)SCC(=O)O

InChI

InChI=1S/C9H15N3O2S2/c1-3-6(4-2)10-8-11-12-9(16-8)15-5-7(13)14/h6H,3-5H2,1-2H3,(H,10,11)(H,13,14)