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4-[(5-phenylazanyl-1H-1,2,4-triazol-3-yl)sulfanyl]benzoic acid

4-[(5-phenylazanyl-1H-1,2,4-triazol-3-yl)sulfanyl]benzoic acid

Systemtic Name:4-[(5-phenylazanyl-1H-1,2,4-triazol-3-yl)sulfanyl]benzoic acid
Openeye Name:4-[(5-anilino-1H-1,2,4-triazol-3-yl)sulfanyl]benzoic acid
CAS Name:4-[(5-anilino-1H-1,2,4-triazol-3-yl)thio]benzoic acid
IUPAC Name:4-[(5-anilino-1H-1,2,4-triazol-3-yl)sulfanyl]benzoic acid
Traditional Name:4-[(5-anilino-1H-1,2,4-triazol-3-yl)thio]benzoic acid
Formula: C15H12N4O2S
MolecularWeight: 312.34638
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NN2)SC3=CC=C(C=C3)C(=O)O


Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NN2)SC3=CC=C(C=C3)C(=O)O


InChI

InChI=1S/C15H12N4O2S/c20-13(21)10-6-8-12(9-7-10)22-15-17-14(18-19-15)16-11-4-2-1-3-5-11/h1-9H,(H,20,21)(H2,16,17,18,19)


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