6-methylsulfonyl-2-[[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-1,3-benzothiazole

Systemtic Name: 6-methylsulfonyl-2-[[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-1,3-benzothiazole Openeye Name: 2-(1-benzyltetrazol-5-yl)sulfanyl-6-methylsulfonyl-1,3-benzothiazole CAS Name: 6-methylsulfonyl-2-[[1-(phenylmethyl)-5-tetrazolyl]thio]-1,3-benzothiazole IUPAC Name: 2-(1-benzyltetrazol-5-yl)sulfanyl-6-methylsulfonyl-1,3-benzothiazole Traditional Name: 2-[(1-benzyltetrazol-5-yl)thio]-6-mesyl-1,3-benzothiazole Formula: C16H13N5O2S3 MolecularWeight: 403.50172

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)SC3=NN=NN3CC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)SC3=NN=NN3CC4=CC=CC=C4

InChI

InChI=1S/C16H13N5O2S3/c1-26(22,23)12-7-8-13-14(9-12)24-16(17-13)25-15-18-19-20-21(15)10-11-5-3-2-4-6-11/h2-9H,10H2,1H3