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

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

Systemtic Name:2-[4-[(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]phenyl]benzoic acid
Openeye Name:2-[4-[(3-ethyl-5-thioxo-1H-1,2,4-triazol-2-yl)methyl]phenyl]benzoic acid
CAS Name:2-[4-[(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]phenyl]benzoic acid
IUPAC Name:2-[4-[(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]phenyl]benzoic acid
Traditional Name:2-[4-[(3-ethyl-5-thioxo-1H-1,2,4-triazol-2-yl)methyl]phenyl]benzoic acid
Formula: C18H17N3O2S
MolecularWeight: 339.41148
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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=S)NN1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O


Isomeric SMILES

CCC1=NC(=S)NN1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O


InChI

InChI=1S/C18H17N3O2S/c1-2-16-19-18(24)20-21(16)11-12-7-9-13(10-8-12)14-5-3-4-6-15(14)17(22)23/h3-10H,2,11H2,1H3,(H,20,24)(H,22,23)


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