(E)-3-azanyl-2-[2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[1-oxo-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)thio]ethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[(5-keto-4-propyl-1H-1,2,4-triazol-3-yl)thio]acetyl]but-2-enenitrile Formula: C11H15N5O2S MolecularWeight: 281.3341

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC(=O)C(=C(C)N)C#N

Isomeric SMILES

CCCN1C(=O)NN=C1SCC(=O)/C(=C(\C)/N)/C#N

InChI

InChI=1S/C11H15N5O2S/c1-3-4-16-10(18)14-15-11(16)19-6-9(17)8(5-12)7(2)13/h3-4,6,13H2,1-2H3,(H,14,18)/b8-7+