2-[2-[[(Z)-2-nitro-1-(prop-2-ynylamino)ethenyl]amino]ethylsulfanylmethyl]pyridin-3-ol

Systemtic Name: 2-[2-[[(Z)-2-nitro-1-(prop-2-ynylamino)ethenyl]amino]ethylsulfanylmethyl]pyridin-3-ol Openeye Name: 2-[2-[[(Z)-2-nitro-1-(prop-2-ynylamino)vinyl]amino]ethylsulfanylmethyl]pyridin-3-ol CAS Name: 2-[[2-[[(Z)-2-nitro-1-(prop-2-ynylamino)ethenyl]amino]ethylthio]methyl]-3-pyridinol IUPAC Name: 2-[2-[[(Z)-2-nitro-1-(prop-2-ynylamino)ethenyl]amino]ethylsulfanylmethyl]pyridin-3-ol Traditional Name: 2-[[2-[[(Z)-2-nitro-1-(propargylamino)vinyl]amino]ethylthio]methyl]pyridin-3-ol Formula: C13H16N4O3S MolecularWeight: 308.35614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=C[N+](=O)[O-])NCCSCC1=C(C=CC=N1)O

Isomeric SMILES

C#CCN/C(=C/[N+](=O)[O-])/NCCSCC1=C(C=CC=N1)O

InChI

InChI=1S/C13H16N4O3S/c1-2-5-15-13(9-17(19)20)16-7-8-21-10-11-12(18)4-3-6-14-11/h1,3-4,6,9,15-16,18H,5,7-8,10H2/b13-9-