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

Systemtic Name: (E)-3-azanyl-2-[2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanylethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-(1-amino-4-phenyl-imidazol-2-yl)sulfanylacetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-[(1-amino-4-phenyl-2-imidazolyl)thio]-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-(1-amino-4-phenylimidazol-2-yl)sulfanylacetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[(1-amino-4-phenyl-imidazol-2-yl)thio]acetyl]but-2-enenitrile Formula: C15H15N5OS MolecularWeight: 313.3775

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)CSC1=NC(=CN1N)C2=CC=CC=C2)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)CSC1=NC(=CN1N)C2=CC=CC=C2)/N

InChI

InChI=1S/C15H15N5OS/c1-10(17)12(7-16)14(21)9-22-15-19-13(8-20(15)18)11-5-3-2-4-6-11/h2-6,8H,9,17-18H2,1H3/b12-10+