5-bromanyl-4-tert-butyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole

Systemtic Name: 5-bromanyl-4-tert-butyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole Openeye Name: 5-bromo-4-tert-butyl-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]thiazole CAS Name: 5-bromo-4-tert-butyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]thiazole IUPAC Name: 5-bromo-4-tert-butyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole Traditional Name: 5-bromo-4-tert-butyl-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]thiazole Formula: C13H13BrN4S3 MolecularWeight: 401.36812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(SC(=N1)SC2=NNC(=N2)C3=CC=CS3)Br

Isomeric SMILES

CC(C)(C)C1=C(SC(=N1)SC2=NNC(=N2)C3=CC=CS3)Br

InChI

InChI=1S/C13H13BrN4S3/c1-13(2,3)8-9(14)20-12(15-8)21-11-16-10(17-18-11)7-5-4-6-19-7/h4-6H,1-3H3,(H,16,17,18)