2-[4,5-bis(4-methylphenyl)-1,3-oxazol-2-yl]-2-sulfanyl-ethanenitrile

Systemtic Name: 2-[4,5-bis(4-methylphenyl)-1,3-oxazol-2-yl]-2-sulfanyl-ethanenitrile Openeye Name: 2-[4,5-bis(p-tolyl)oxazol-2-yl]-2-sulfanyl-acetonitrile CAS Name: 2-[4,5-bis(4-methylphenyl)-2-oxazolyl]-2-mercaptoacetonitrile IUPAC Name: 2-[4,5-bis(4-methylphenyl)-1,3-oxazol-2-yl]-2-sulfanylacetonitrile Traditional Name: 2-[4,5-bis(p-tolyl)oxazol-2-yl]-2-mercapto-acetonitrile Formula: C19H16N2OS MolecularWeight: 320.40814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(OC(=N2)C(C#N)S)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(OC(=N2)C(C#N)S)C3=CC=C(C=C3)C

InChI

InChI=1S/C19H16N2OS/c1-12-3-7-14(8-4-12)17-18(15-9-5-13(2)6-10-15)22-19(21-17)16(23)11-20/h3-10,16,23H,1-2H3