3-[4-(2,3-dimethyl-5-sulfanylidene-1H-1,2,4-triazol-4-ium-4-yl)phenyl]butanoic acid

Systemtic Name: 3-[4-(2,3-dimethyl-5-sulfanylidene-1H-1,2,4-triazol-4-ium-4-yl)phenyl]butanoic acid Openeye Name: 3-[4-(2,3-dimethyl-5-thioxo-1H-1,2,4-triazol-4-ium-4-yl)phenyl]butanoic acid CAS Name: 3-[4-(2,3-dimethyl-5-sulfanylidene-1H-1,2,4-triazol-4-ium-4-yl)phenyl]butanoic acid IUPAC Name: 3-[4-(2,3-dimethyl-5-sulfanylidene-1H-1,2,4-triazol-4-ium-4-yl)phenyl]butanoic acid Traditional Name: 3-[4-(2,3-dimethyl-5-thioxo-1H-1,2,4-triazol-4-ium-4-yl)phenyl]butyric acid Formula: C14H18N3O2S+ MolecularWeight: 292.37662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=S)NN1C)C2=CC=C(C=C2)C(C)CC(=O)O

Isomeric SMILES

CC1=[N+](C(=S)NN1C)C2=CC=C(C=C2)C(C)CC(=O)O

InChI

InChI=1S/C14H17N3O2S/c1-9(8-13(18)19)11-4-6-12(7-5-11)17-10(2)16(3)15-14(17)20/h4-7,9H,8H2,1-3H3,(H-,15,18,19,20)/p+1