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

Systemtic Name: 2-[(E)-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid Openeye Name: 2-[(E)-(3-ethyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid CAS Name: 2-[(E)-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid IUPAC Name: 2-[(E)-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid Traditional Name: 2-[(E)-(3-ethyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid Formula: C12H12N4O2S MolecularWeight: 276.31428

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NNC(=S)N1N=CC2=CC=CC=C2C(=O)O

Isomeric SMILES

CCC1=NNC(=S)N1/N=C/C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C12H12N4O2S/c1-2-10-14-15-12(19)16(10)13-7-8-5-3-4-6-9(8)11(17)18/h3-7H,2H2,1H3,(H,15,19)(H,17,18)/b13-7+