2-nitro-5-prop-2-ynylsulfanyl-pyridine

Systemtic Name: 2-nitro-5-prop-2-ynylsulfanyl-pyridine Openeye Name: 2-nitro-5-prop-2-ynylsulfanyl-pyridine CAS Name: 2-nitro-5-(prop-2-ynylthio)pyridine IUPAC Name: 2-nitro-5-prop-2-ynylsulfanylpyridine Traditional Name: 2-nitro-5-(propargylthio)pyridine Formula: C8H6N2O2S MolecularWeight: 194.21044

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Descriptors Computed from Structure

Canonical SMILES:

C#CCSC1=CN=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

C#CCSC1=CN=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C8H6N2O2S/c1-2-5-13-7-3-4-8(9-6-7)10(11)12/h1,3-4,6H,5H2