2-[[1-(4-tert-butylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-6-nitro-1,3-benzothiazole

Systemtic Name: 2-[[1-(4-tert-butylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-6-nitro-1,3-benzothiazole Openeye Name: 2-[1-(4-tert-butylphenyl)tetrazol-5-yl]sulfanyl-6-nitro-1,3-benzothiazole CAS Name: 2-[[1-(4-tert-butylphenyl)-5-tetrazolyl]thio]-6-nitro-1,3-benzothiazole IUPAC Name: 2-[1-(4-tert-butylphenyl)tetrazol-5-yl]sulfanyl-6-nitro-1,3-benzothiazole Traditional Name: 2-[[1-(4-tert-butylphenyl)tetrazol-5-yl]thio]-6-nitro-1,3-benzothiazole Formula: C18H16N6O2S2 MolecularWeight: 412.48864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2C(=NN=N2)SC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2C(=NN=N2)SC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H16N6O2S2/c1-18(2,3)11-4-6-12(7-5-11)23-16(20-21-22-23)28-17-19-14-9-8-13(24(25)26)10-15(14)27-17/h4-10H,1-3H3