6-nitro-2-prop-2-ynylsulfanyl-1,3-benzothiazole

Systemtic Name: 6-nitro-2-prop-2-ynylsulfanyl-1,3-benzothiazole Openeye Name: 6-nitro-2-prop-2-ynylsulfanyl-1,3-benzothiazole CAS Name: 6-nitro-2-(prop-2-ynylthio)-1,3-benzothiazole IUPAC Name: 6-nitro-2-prop-2-ynylsulfanyl-1,3-benzothiazole Traditional Name: 6-nitro-2-(propargylthio)-1,3-benzothiazole Formula: C10H6N2O2S2 MolecularWeight: 250.29684

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Descriptors Computed from Structure

Canonical SMILES:

C#CCSC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C#CCSC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C10H6N2O2S2/c1-2-5-15-10-11-8-4-3-7(12(13)14)6-9(8)16-10/h1,3-4,6H,5H2