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

Systemtic Name: 2-[[1-(4-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-6-methylsulfonyl-1,3-benzothiazole Openeye Name: 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-6-methylsulfonyl-1,3-benzothiazole CAS Name: 2-[[1-(4-methoxyphenyl)-5-tetrazolyl]thio]-6-methylsulfonyl-1,3-benzothiazole IUPAC Name: 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-6-methylsulfonyl-1,3-benzothiazole Traditional Name: 6-mesyl-2-[[1-(4-methoxyphenyl)tetrazol-5-yl]thio]-1,3-benzothiazole Formula: C16H13N5O3S3 MolecularWeight: 419.50112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=N2)SC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=N2)SC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C16H13N5O3S3/c1-24-11-5-3-10(4-6-11)21-15(18-19-20-21)26-16-17-13-8-7-12(27(2,22)23)9-14(13)25-16/h3-9H,1-2H3