(Z)-N1'-methyl-2-nitro-3-(1,3-thiazol-4-ylmethylsulfanyl)but-1-ene-1,1-diamine

Systemtic Name: (Z)-N1'-methyl-2-nitro-3-(1,3-thiazol-4-ylmethylsulfanyl)but-1-ene-1,1-diamine Openeye Name: (Z)-N1'-methyl-2-nitro-3-(thiazol-4-ylmethylsulfanyl)but-1-ene-1,1-diamine CAS Name: (Z)-N1'-methyl-2-nitro-3-(4-thiazolylmethylthio)-1-butene-1,1-diamine IUPAC Name: (Z)-1-N'-methyl-2-nitro-3-(1,3-thiazol-4-ylmethylsulfanyl)but-1-ene-1,1-diamine Traditional Name: [(Z)-1-amino-2-nitro-3-(thiazol-4-ylmethylthio)but-1-enyl]-methyl-amine Formula: C9H14N4O2S2 MolecularWeight: 274.36306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=C(N)NC)[N+](=O)[O-])SCC1=CSC=N1

Isomeric SMILES

CC(/C(=C(\N)/NC)/[N+](=O)[O-])SCC1=CSC=N1

InChI

InChI=1S/C9H14N4O2S2/c1-6(8(13(14)15)9(10)11-2)17-4-7-3-16-5-12-7/h3,5-6,11H,4,10H2,1-2H3/b9-8-