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

Systemtic Name: (E)-3-azanyl-2-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-[1-(o-tolyl)imidazol-2-yl]sulfanylacetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-[[1-(2-methylphenyl)-2-imidazolyl]thio]-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[[1-(o-tolyl)imidazol-2-yl]thio]acetyl]but-2-enenitrile Formula: C16H16N4OS MolecularWeight: 312.38944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=CN=C2SCC(=O)C(=C(C)N)C#N

Isomeric SMILES

CC1=CC=CC=C1N2C=CN=C2SCC(=O)/C(=C(\C)/N)/C#N

InChI

InChI=1S/C16H16N4OS/c1-11-5-3-4-6-14(11)20-8-7-19-16(20)22-10-15(21)13(9-17)12(2)18/h3-8H,10,18H2,1-2H3/b13-12+