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

Systemtic Name: N-[(E)-2-[1-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethylamino]prop-1-enyl]nitramide Openeye Name: N-[(E)-2-[1-[[5-(dimethylaminomethyl)-2-furyl]methylsulfanyl]ethylamino]prop-1-enyl]nitramide CAS Name: N-[(E)-2-[1-[[5-(dimethylaminomethyl)-2-furanyl]methylthio]ethylamino]prop-1-enyl]nitramide IUPAC Name: N-[(E)-2-[1-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethylamino]prop-1-enyl]nitramide Traditional Name: N-[(E)-2-[1-[[5-(dimethylaminomethyl)-2-furyl]methylthio]ethylamino]prop-1-enyl]nitramide Formula: C13H22N4O3S MolecularWeight: 314.40378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(NC(=CN[N+](=O)[O-])C)SCC1=CC=C(O1)CN(C)C

Isomeric SMILES

CC(N/C(=C/N[N+](=O)[O-])/C)SCC1=CC=C(O1)CN(C)C

InChI

InChI=1S/C13H22N4O3S/c1-10(7-14-17(18)19)15-11(2)21-9-13-6-5-12(20-13)8-16(3)4/h5-7,11,14-15H,8-9H2,1-4H3/b10-7+