(E)-3-(methylamino)-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-2-nitro-prop-2-enenitrile

Systemtic Name: (E)-3-(methylamino)-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-2-nitro-prop-2-enenitrile Openeye Name: (E)-3-(methylamino)-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-2-nitro-prop-2-enenitrile CAS Name: (E)-3-(methylamino)-3-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-2-nitro-2-propenenitrile IUPAC Name: (E)-3-(methylamino)-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-2-nitroprop-2-enenitrile Traditional Name: (E)-3-(methylamino)-3-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-2-nitro-acrylonitrile Formula: C11H16N6O2S MolecularWeight: 296.34874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCNC(=C(C#N)[N+](=O)[O-])NC

Isomeric SMILES

CC1=C(N=CN1)CSCCN/C(=C(\C#N)/[N+](=O)[O-])/NC

InChI

InChI=1S/C11H16N6O2S/c1-8-9(16-7-15-8)6-20-4-3-14-11(13-2)10(5-12)17(18)19/h7,13-14H,3-4,6H2,1-2H3,(H,15,16)/b11-10+