6-nitro-2-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-benzothiazole

Systemtic Name: 6-nitro-2-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-benzothiazole Openeye Name: 6-nitro-2-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-benzothiazole CAS Name: 6-nitro-2-(1H-1,2,4-triazol-5-ylthio)-1,3-benzothiazole IUPAC Name: 6-nitro-2-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-benzothiazole Traditional Name: 6-nitro-2-(1H-1,2,4-triazol-5-ylthio)-1,3-benzothiazole Formula: C9H5N5O2S2 MolecularWeight: 279.2983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)SC3=NC=NN3

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)SC3=NC=NN3

InChI

InChI=1S/C9H5N5O2S2/c15-14(16)5-1-2-6-7(3-5)17-9(12-6)18-8-10-4-11-13-8/h1-4H,(H,10,11,13)