4,5-diphenyl-1,3-oxazole; 2-sulfanylbutanoic acid

Systemtic Name: 4,5-diphenyl-1,3-oxazole; 2-sulfanylbutanoic acid Openeye Name: 4,5-diphenyloxazole; 2-sulfanylbutanoic acid CAS Name: 4,5-diphenyloxazole; 2-mercaptobutanoic acid IUPAC Name: 4,5-diphenyl-1,3-oxazole; 2-sulfanylbutanoic acid Traditional Name: 4,5-diphenyloxazole; 2-mercaptobutyric acid Formula: C19H19NO3S MolecularWeight: 341.42406

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)S.C1=CC=C(C=C1)C2=C(OC=N2)C3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)O)S.C1=CC=C(C=C1)C2=C(OC=N2)C3=CC=CC=C3

InChI

InChI=1S/C15H11NO.C4H8O2S/c1-3-7-12(8-4-1)14-15(17-11-16-14)13-9-5-2-6-10-13;1-2-3(7)4(5)6/h1-11H;3,7H,2H2,1H3,(H,5,6)