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

Systemtic Name: 2-[[5-[(4-butylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(4-butylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(4-butylanilino)-1,3,4-thiadiazol-2-yl]thio]acetic acid IUPAC Name: 2-[[5-(4-butylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(4-butylanilino)-1,3,4-thiadiazol-2-yl]thio]acetic acid Formula: C14H17N3O2S2 MolecularWeight: 323.43368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=NN=C(S2)SCC(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=NN=C(S2)SCC(=O)O

InChI

InChI=1S/C14H17N3O2S2/c1-2-3-4-10-5-7-11(8-6-10)15-13-16-17-14(21-13)20-9-12(18)19/h5-8H,2-4,9H2,1H3,(H,15,16)(H,18,19)