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

Systemtic Name: 6-methylsulfonyl-2-[(2-phenethyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1,3-benzothiazole Openeye Name: 6-methylsulfonyl-2-(2-phenethyltetrazol-5-yl)sulfanyl-1,3-benzothiazole CAS Name: 6-methylsulfonyl-2-[(2-phenethyl-5-tetrazolyl)thio]-1,3-benzothiazole IUPAC Name: 6-methylsulfonyl-2-(2-phenethyltetrazol-5-yl)sulfanyl-1,3-benzothiazole Traditional Name: 6-mesyl-2-[(2-phenethyltetrazol-5-yl)thio]-1,3-benzothiazole Formula: C17H15N5O2S3 MolecularWeight: 417.5283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)SC3=NN(N=N3)CCC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)SC3=NN(N=N3)CCC4=CC=CC=C4

InChI

InChI=1S/C17H15N5O2S3/c1-27(23,24)13-7-8-14-15(11-13)25-17(18-14)26-16-19-21-22(20-16)10-9-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3