(E)-3-azanyl-2-[2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]ethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]ethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-(4,5-diphenyloxazol-2-yl)sulfanylacetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-[(4,5-diphenyl-2-oxazolyl)thio]-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[(4,5-diphenyloxazol-2-yl)thio]acetyl]but-2-enenitrile Formula: C21H17N3O2S MolecularWeight: 375.44358

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)CSC1=NC(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)CSC1=NC(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3)/N

InChI

InChI=1S/C21H17N3O2S/c1-14(23)17(12-22)18(25)13-27-21-24-19(15-8-4-2-5-9-15)20(26-21)16-10-6-3-7-11-16/h2-11H,13,23H2,1H3/b17-14+