(E)-2-cyano-3-(2-methylpropylamino)but-2-enethioate

Systemtic Name: (E)-2-cyano-3-(2-methylpropylamino)but-2-enethioate Openeye Name: (E)-2-cyano-3-(isobutylamino)but-2-enethioate CAS Name: (E)-2-cyano-3-(2-methylpropylamino)-2-butenethioate IUPAC Name: (E)-2-cyano-3-(2-methylpropylamino)but-2-enethioate Traditional Name: (E)-2-cyano-3-(isobutylamino)but-2-enethioate Formula: C9H13N2OS- MolecularWeight: 197.27732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=C(C#N)C(=S)[O-])C

Isomeric SMILES

CC(C)CN/C(=C(\C#N)/C(=S)[O-])/C

InChI

InChI=1S/C9H14N2OS/c1-6(2)5-11-7(3)8(4-10)9(12)13/h6,11H,5H2,1-3H3,(H,12,13)/p-1/b8-7+