(Z)-3-[[3-(2-dimethylaminoethyl)furan-2-yl]methylsulfanyl]-N1'-methyl-2-nitro-but-1-ene-1,1-diamine

Systemtic Name: (Z)-3-[[3-(2-dimethylaminoethyl)furan-2-yl]methylsulfanyl]-N1'-methyl-2-nitro-but-1-ene-1,1-diamine Openeye Name: (Z)-3-[[3-(2-dimethylaminoethyl)-2-furyl]methylsulfanyl]-N1'-methyl-2-nitro-but-1-ene-1,1-diamine CAS Name: (Z)-3-[[3-(2-dimethylaminoethyl)-2-furanyl]methylthio]-N1'-methyl-2-nitro-1-butene-1,1-diamine IUPAC Name: (Z)-3-[[3-(2-dimethylaminoethyl)furan-2-yl]methylsulfanyl]-1-N'-methyl-2-nitrobut-1-ene-1,1-diamine Traditional Name: 2-[2-[[[(Z)-3-amino-1-methyl-3-(methylamino)-2-nitro-allyl]thio]methyl]-3-furyl]ethyl-dimethyl-amine Formula: C14H24N4O3S MolecularWeight: 328.43036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=C(N)NC)[N+](=O)[O-])SCC1=C(C=CO1)CCN(C)C

Isomeric SMILES

CC(/C(=C(\N)/NC)/[N+](=O)[O-])SCC1=C(C=CO1)CCN(C)C

InChI

InChI=1S/C14H24N4O3S/c1-10(13(18(19)20)14(15)16-2)22-9-12-11(6-8-21-12)5-7-17(3)4/h6,8,10,16H,5,7,9,15H2,1-4H3/b14-13-