6-methylsulfonyl-2-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-benzothiazole

Systemtic Name: 6-methylsulfonyl-2-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-benzothiazole Openeye Name: 6-methylsulfonyl-2-[[4-phenyl-5-(2-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole CAS Name: 6-methylsulfonyl-2-[[4-phenyl-5-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]-1,3-benzothiazole IUPAC Name: 6-methylsulfonyl-2-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-benzothiazole Traditional Name: 6-mesyl-2-[[4-phenyl-5-(2-pyridyl)-1,2,4-triazol-3-yl]thio]-1,3-benzothiazole Formula: C21H15N5O2S3 MolecularWeight: 465.5711

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)SC3=NN=C(N3C4=CC=CC=C4)C5=CC=CC=N5

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)SC3=NN=C(N3C4=CC=CC=C4)C5=CC=CC=N5

InChI

InChI=1S/C21H15N5O2S3/c1-31(27,28)15-10-11-16-18(13-15)29-21(23-16)30-20-25-24-19(17-9-5-6-12-22-17)26(20)14-7-3-2-4-8-14/h2-13H,1H3