5-bromanyl-4-tert-butyl-2-[(1-pyridin-3-yl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1,3-thiazole

Systemtic Name: 5-bromanyl-4-tert-butyl-2-[(1-pyridin-3-yl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1,3-thiazole Openeye Name: 5-bromo-4-tert-butyl-2-[1-(3-pyridyl)tetrazol-5-yl]sulfanyl-thiazole CAS Name: 5-bromo-4-tert-butyl-2-[[1-(3-pyridinyl)-5-tetrazolyl]thio]thiazole IUPAC Name: 5-bromo-4-tert-butyl-2-(1-pyridin-3-yltetrazol-5-yl)sulfanyl-1,3-thiazole Traditional Name: 5-bromo-4-tert-butyl-2-[[1-(3-pyridyl)tetrazol-5-yl]thio]thiazole Formula: C13H13BrN6S2 MolecularWeight: 397.31652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(SC(=N1)SC2=NN=NN2C3=CN=CC=C3)Br

Isomeric SMILES

CC(C)(C)C1=C(SC(=N1)SC2=NN=NN2C3=CN=CC=C3)Br

InChI

InChI=1S/C13H13BrN6S2/c1-13(2,3)9-10(14)21-12(16-9)22-11-17-18-19-20(11)8-5-4-6-15-7-8/h4-7H,1-3H3