2-[2-[[(Z)-2-nitro-1-(prop-2-ynylamino)ethenyl]amino]ethylsulfanylmethyl]pyridine-3-carbonitrile

Systemtic Name: 2-[2-[[(Z)-2-nitro-1-(prop-2-ynylamino)ethenyl]amino]ethylsulfanylmethyl]pyridine-3-carbonitrile Openeye Name: 2-[2-[[(Z)-2-nitro-1-(prop-2-ynylamino)vinyl]amino]ethylsulfanylmethyl]pyridine-3-carbonitrile CAS Name: 2-[[2-[[(Z)-2-nitro-1-(prop-2-ynylamino)ethenyl]amino]ethylthio]methyl]-3-pyridinecarbonitrile IUPAC Name: 2-[2-[[(Z)-2-nitro-1-(prop-2-ynylamino)ethenyl]amino]ethylsulfanylmethyl]pyridine-3-carbonitrile Traditional Name: 2-[[2-[[(Z)-2-nitro-1-(propargylamino)vinyl]amino]ethylthio]methyl]nicotinonitrile Formula: C14H15N5O2S MolecularWeight: 317.3662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N5O2S/c1-2-5-17-14(10-19(20)21)18-7-8-22-11-13-12(9-15)4-3-6-16-13/h1,3-4,6,10,17-18H,5,7-8,11H2/b14-10-