2-[5-[(5-bromanyl-4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-1,2,3,4-tetrazol-1-yl]-5-methyl-benzenethiol

Systemtic Name: 2-[5-[(5-bromanyl-4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-1,2,3,4-tetrazol-1-yl]-5-methyl-benzenethiol Openeye Name: 2-[5-(5-bromo-4-tert-butyl-thiazol-2-yl)sulfanyltetrazol-1-yl]-5-methyl-benzenethiol CAS Name: 2-[5-[(5-bromo-4-tert-butyl-2-thiazolyl)thio]-1-tetrazolyl]-5-methylbenzenethiol IUPAC Name: 2-[5-[(5-bromo-4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]tetrazol-1-yl]-5-methylbenzenethiol Traditional Name: 2-[5-[(5-bromo-4-tert-butyl-thiazol-2-yl)thio]tetrazol-1-yl]-5-methyl-benzenethiol Formula: C15H16BrN5S3 MolecularWeight: 442.42004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=NN=N2)SC3=NC(=C(S3)Br)C(C)(C)C)S

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=NN=N2)SC3=NC(=C(S3)Br)C(C)(C)C)S

InChI

InChI=1S/C15H16BrN5S3/c1-8-5-6-9(10(22)7-8)21-13(18-19-20-21)24-14-17-11(12(16)23-14)15(2,3)4/h5-7,22H,1-4H3