N-[(E)-2-[1-[5-(dimethylaminomethyl)furan-2-yl]sulfanylethylamino]prop-1-enyl]nitramide

Systemtic Name: N-[(E)-2-[1-[5-(dimethylaminomethyl)furan-2-yl]sulfanylethylamino]prop-1-enyl]nitramide Openeye Name: N-[(E)-2-[1-[[5-(dimethylaminomethyl)-2-furyl]sulfanyl]ethylamino]prop-1-enyl]nitramide CAS Name: N-[(E)-2-[1-[[5-(dimethylaminomethyl)-2-furanyl]thio]ethylamino]prop-1-enyl]nitramide IUPAC Name: N-[(E)-2-[1-[5-(dimethylaminomethyl)furan-2-yl]sulfanylethylamino]prop-1-enyl]nitramide Traditional Name: N-[(E)-2-[1-[[5-(dimethylaminomethyl)-2-furyl]thio]ethylamino]prop-1-enyl]nitramide Formula: C12H20N4O3S MolecularWeight: 300.3772

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Descriptors Computed from Structure

Canonical SMILES:

CC(NC(=CN[N+](=O)[O-])C)SC1=CC=C(O1)CN(C)C

Isomeric SMILES

CC(N/C(=C/N[N+](=O)[O-])/C)SC1=CC=C(O1)CN(C)C

InChI

InChI=1S/C12H20N4O3S/c1-9(7-13-16(17)18)14-10(2)20-12-6-5-11(19-12)8-15(3)4/h5-7,10,13-14H,8H2,1-4H3/b9-7+