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

Systemtic Name: (Z)-N1'-but-2-ynyl-2-nitro-N1-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]ethene-1,1-diamine Openeye Name: (Z)-N1'-but-2-ynyl-2-nitro-N1-[2-(thiazol-2-ylmethylsulfanyl)ethyl]ethene-1,1-diamine CAS Name: (Z)-N1'-but-2-ynyl-2-nitro-N1-[2-(2-thiazolylmethylthio)ethyl]ethene-1,1-diamine IUPAC Name: (Z)-1-N'-but-2-ynyl-2-nitro-1-N-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]ethene-1,1-diamine Traditional Name: but-2-ynyl-[(Z)-2-nitro-1-[2-(thiazol-2-ylmethylthio)ethylamino]vinyl]amine Formula: C12H16N4O2S2 MolecularWeight: 312.41104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4O2S2/c1-2-3-4-13-11(9-16(17)18)14-5-7-19-10-12-15-6-8-20-12/h6,8-9,13-14H,4-5,7,10H2,1H3/b11-9-