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

Systemtic Name: (E)-3-azanyl-2-[2-(1-cyclopropylimidazol-2-yl)sulfanylethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-(1-cyclopropylimidazol-2-yl)sulfanylacetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-[(1-cyclopropyl-2-imidazolyl)thio]-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-(1-cyclopropylimidazol-2-yl)sulfanylacetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[(1-cyclopropylimidazol-2-yl)thio]acetyl]but-2-enenitrile Formula: C12H14N4OS MolecularWeight: 262.33076

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)CSC1=NC=CN1C2CC2)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)CSC1=NC=CN1C2CC2)/N

InChI

InChI=1S/C12H14N4OS/c1-8(14)10(6-13)11(17)7-18-12-15-4-5-16(12)9-2-3-9/h4-5,9H,2-3,7,14H2,1H3/b10-8+