4,5-bis(4-methylphenyl)-1,3-oxazole; 2-sulfanylbutanoic acid

Systemtic Name: 4,5-bis(4-methylphenyl)-1,3-oxazole; 2-sulfanylbutanoic acid Openeye Name: 4,5-bis(p-tolyl)oxazole; 2-sulfanylbutanoic acid CAS Name: 4,5-bis(4-methylphenyl)oxazole; 2-mercaptobutanoic acid IUPAC Name: 4,5-bis(4-methylphenyl)-1,3-oxazole; 2-sulfanylbutanoic acid Traditional Name: 4,5-bis(p-tolyl)oxazole; 2-mercaptobutyric acid Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)S.CC1=CC=C(C=C1)C2=C(OC=N2)C3=CC=C(C=C3)C

Isomeric SMILES

CCC(C(=O)O)S.CC1=CC=C(C=C1)C2=C(OC=N2)C3=CC=C(C=C3)C

InChI

InChI=1S/C17H15NO.C4H8O2S/c1-12-3-7-14(8-4-12)16-17(19-11-18-16)15-9-5-13(2)6-10-15;1-2-3(7)4(5)6/h3-11H,1-2H3;3,7H,2H2,1H3,(H,5,6)