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

Systemtic Name: (E)-3-azanyl-2-[2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[1-oxo-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]ethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]acetyl]but-2-enenitrile Formula: C11H15N5OS MolecularWeight: 265.3347

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SCC(=O)C(=C(C)N)C#N

Isomeric SMILES

CC(C)C1=NC(=NN1)SCC(=O)/C(=C(\C)/N)/C#N

InChI

InChI=1S/C11H15N5OS/c1-6(2)10-14-11(16-15-10)18-5-9(17)8(4-12)7(3)13/h6H,5,13H2,1-3H3,(H,14,15,16)/b8-7+