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

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

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=C[N+](=O)[O-])NCCCSCC1=NC=CS1

Isomeric SMILES

C#CCN/C(=C/[N+](=O)[O-])/NCCCSCC1=NC=CS1

InChI

InChI=1S/C12H16N4O2S2/c1-2-4-13-11(9-16(17)18)14-5-3-7-19-10-12-15-6-8-20-12/h1,6,8-9,13-14H,3-5,7,10H2/b11-9-