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

Systemtic Name: 4-[3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid Openeye Name: 4-[3-(5-methyl-3-phenyl-isoxazol-4-yl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzoic acid CAS Name: 4-[3-(5-methyl-3-phenyl-4-isoxazolyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid IUPAC Name: 4-[3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid Traditional Name: 4-[3-(5-methyl-3-phenyl-isoxazol-4-yl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzoic acid Formula: C19H14N4O3S MolecularWeight: 378.40446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C3=NNC(=S)N3C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C3=NNC(=S)N3C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C19H14N4O3S/c1-11-15(16(22-26-11)12-5-3-2-4-6-12)17-20-21-19(27)23(17)14-9-7-13(8-10-14)18(24)25/h2-10H,1H3,(H,21,27)(H,24,25)