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

Systemtic Name: 4-[(E)-(3-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid Openeye Name: 4-[(E)-(3-isopropyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid CAS Name: 4-[(E)-(3-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid IUPAC Name: 4-[(E)-(3-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid Traditional Name: 4-[(E)-(3-isopropyl-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:

CC(C)C1=NNC(=S)N1N=CC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)C1=NNC(=S)N1/N=C/C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H14N4O2S/c1-8(2)11-15-16-13(20)17(11)14-7-9-3-5-10(6-4-9)12(18)19/h3-8H,1-2H3,(H,16,20)(H,18,19)/b14-7+