(E)-3-azanyl-2-[2-[4-(3,4-dimethylphenyl)-1-phenyl-imidazol-2-yl]sulfanylethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-[4-(3,4-dimethylphenyl)-1-phenyl-imidazol-2-yl]sulfanylethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-[4-(3,4-dimethylphenyl)-1-phenyl-imidazol-2-yl]sulfanylacetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-[[4-(3,4-dimethylphenyl)-1-phenyl-2-imidazolyl]thio]-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-[4-(3,4-dimethylphenyl)-1-phenylimidazol-2-yl]sulfanylacetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[[4-(3,4-dimethylphenyl)-1-phenyl-imidazol-2-yl]thio]acetyl]but-2-enenitrile Formula: C23H22N4OS MolecularWeight: 402.51198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CN(C(=N2)SCC(=O)C(=C(C)N)C#N)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CN(C(=N2)SCC(=O)/C(=C(\C)/N)/C#N)C3=CC=CC=C3)C

InChI

InChI=1S/C23H22N4OS/c1-15-9-10-18(11-16(15)2)21-13-27(19-7-5-4-6-8-19)23(26-21)29-14-22(28)20(12-24)17(3)25/h4-11,13H,14,25H2,1-3H3/b20-17+