5-methyl-2-[5-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]-1,2,3,4-tetrazol-1-yl]benzenethiol

Systemtic Name: 5-methyl-2-[5-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]-1,2,3,4-tetrazol-1-yl]benzenethiol Openeye Name: 5-methyl-2-[5-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]tetrazol-1-yl]benzenethiol CAS Name: 5-methyl-2-[5-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)thio]-1-tetrazolyl]benzenethiol IUPAC Name: 5-methyl-2-[5-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]tetrazol-1-yl]benzenethiol Traditional Name: 2-[5-[(6-mesyl-1,3-benzothiazol-2-yl)thio]tetrazol-1-yl]-5-methyl-benzenethiol Formula: C16H13N5O2S4 MolecularWeight: 435.56672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=NN=N2)SC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C)S

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=NN=N2)SC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C)S

InChI

InChI=1S/C16H13N5O2S4/c1-9-3-6-12(13(24)7-9)21-15(18-19-20-21)26-16-17-11-5-4-10(27(2,22)23)8-14(11)25-16/h3-8,24H,1-2H3