(E)-3-azanyl-2-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-[[1-(3-methoxyphenyl)-2-imidazolyl]thio]-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[[1-(3-methoxyphenyl)imidazol-2-yl]thio]acetyl]but-2-enenitrile Formula: C16H16N4O2S MolecularWeight: 328.38884

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)CSC1=NC=CN1C2=CC(=CC=C2)OC)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)CSC1=NC=CN1C2=CC(=CC=C2)OC)/N

InChI

InChI=1S/C16H16N4O2S/c1-11(18)14(9-17)15(21)10-23-16-19-6-7-20(16)12-4-3-5-13(8-12)22-2/h3-8H,10,18H2,1-2H3/b14-11+