(E)-3-azanyl-2-[2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-[1-(4-isopropylphenyl)imidazol-2-yl]sulfanylacetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[1-oxo-2-[[1-(4-propan-2-ylphenyl)-2-imidazolyl]thio]ethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[(1-p-cumenylimidazol-2-yl)thio]acetyl]but-2-enenitrile Formula: C18H20N4OS MolecularWeight: 340.4426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N2C=CN=C2SCC(=O)C(=C(C)N)C#N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N2C=CN=C2SCC(=O)/C(=C(\C)/N)/C#N

InChI

InChI=1S/C18H20N4OS/c1-12(2)14-4-6-15(7-5-14)22-9-8-21-18(22)24-11-17(23)16(10-19)13(3)20/h4-9,12H,11,20H2,1-3H3/b16-13+