(E)-2-nitro-N1'-prop-1-ynyl-N1-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]ethene-1,1-diamine

Systemtic Name: (E)-2-nitro-N1'-prop-1-ynyl-N1-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]ethene-1,1-diamine Openeye Name: (E)-2-nitro-N1'-prop-1-ynyl-N1-[2-(thiazol-2-ylmethylsulfanyl)ethyl]ethene-1,1-diamine CAS Name: (E)-2-nitro-N1'-prop-1-ynyl-N1-[2-(2-thiazolylmethylthio)ethyl]ethene-1,1-diamine IUPAC Name: (E)-2-nitro-1-N'-prop-1-ynyl-1-N-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]ethene-1,1-diamine Traditional Name: [(E)-2-nitro-1-(prop-1-ynylamino)vinyl]-[2-(thiazol-2-ylmethylthio)ethyl]amine Formula: C11H14N4O2S2 MolecularWeight: 298.38446

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Descriptors Computed from Structure

Canonical SMILES:

CC#CNC(=C[N+](=O)[O-])NCCSCC1=NC=CS1

Isomeric SMILES

CC#CN/C(=C/[N+](=O)[O-])/NCCSCC1=NC=CS1

InChI

InChI=1S/C11H14N4O2S2/c1-2-3-12-10(8-15(16)17)13-4-6-18-9-11-14-5-7-19-11/h5,7-8,12-13H,4,6,9H2,1H3/b10-8-