(E)-3-azanyl-2-[2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-[[1-(3,5-dimethylphenyl)-2-imidazolyl]thio]-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[[1-(3,5-dimethylphenyl)imidazol-2-yl]thio]acetyl]but-2-enenitrile Formula: C17H18N4OS MolecularWeight: 326.41602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C=CN=C2SCC(=O)C(=C(C)N)C#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C=CN=C2SCC(=O)/C(=C(\C)/N)/C#N)C

InChI

InChI=1S/C17H18N4OS/c1-11-6-12(2)8-14(7-11)21-5-4-20-17(21)23-10-16(22)15(9-18)13(3)19/h4-8H,10,19H2,1-3H3/b15-13+