2-[[4-(4-cyanophenyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[4-(4-cyanophenyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(4-cyanophenyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(4-cyanophenyl)-5-propyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(4-cyanophenyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(4-cyanophenyl)-5-propyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C14H14N4O2S MolecularWeight: 302.35156

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1C2=CC=C(C=C2)C#N)SCC(=O)O

Isomeric SMILES

CCCC1=NN=C(N1C2=CC=C(C=C2)C#N)SCC(=O)O

InChI

InChI=1S/C14H14N4O2S/c1-2-3-12-16-17-14(21-9-13(19)20)18(12)11-6-4-10(8-15)5-7-11/h4-7H,2-3,9H2,1H3,(H,19,20)