5-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-4-nitro-2,1,3-benzothiadiazole

Systemtic Name: 5-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-4-nitro-2,1,3-benzothiadiazole Openeye Name: 5-(1-cyclohexyltetrazol-5-yl)sulfanyl-4-nitro-2,1,3-benzothiadiazole CAS Name: 5-[(1-cyclohexyl-5-tetrazolyl)thio]-4-nitro-2,1,3-benzothiadiazole IUPAC Name: 5-(1-cyclohexyltetrazol-5-yl)sulfanyl-4-nitro-2,1,3-benzothiadiazole Traditional Name: 5-[(1-cyclohexyltetrazol-5-yl)thio]-4-nitro-piazthiole Formula: C13H13N7O2S2 MolecularWeight: 363.41802

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=N2)SC3=C(C4=NSN=C4C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)N2C(=NN=N2)SC3=C(C4=NSN=C4C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H13N7O2S2/c21-20(22)12-10(7-6-9-11(12)16-24-15-9)23-13-14-17-18-19(13)8-4-2-1-3-5-8/h6-8H,1-5H2