4-[(E)-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid

Systemtic Name: 4-[(E)-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid Openeye Name: 4-[(E)-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid CAS Name: 4-[(E)-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid IUPAC Name: 4-[(E)-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid Traditional Name: 4-[(E)-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid Formula: C13H14N4O2S MolecularWeight: 290.34086

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=S)N1N=CC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCC1=NNC(=S)N1/N=C/C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H14N4O2S/c1-2-3-11-15-16-13(20)17(11)14-8-9-4-6-10(7-5-9)12(18)19/h4-8H,2-3H2,1H3,(H,16,20)(H,18,19)/b14-8+