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

Systemtic Name: 2-[(5-tert-butyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-6-methylsulfonyl-1,3-benzothiazole Openeye Name: 2-[(5-tert-butyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-6-methylsulfonyl-1,3-benzothiazole CAS Name: 2-[(5-tert-butyl-4-phenyl-1,2,4-triazol-3-yl)thio]-6-methylsulfonyl-1,3-benzothiazole IUPAC Name: 2-[(5-tert-butyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-6-methylsulfonyl-1,3-benzothiazole Traditional Name: 2-[(5-tert-butyl-4-phenyl-1,2,4-triazol-3-yl)thio]-6-mesyl-1,3-benzothiazole Formula: C20H20N4O2S3 MolecularWeight: 444.5934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN=C(N1C2=CC=CC=C2)SC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)C1=NN=C(N1C2=CC=CC=C2)SC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C20H20N4O2S3/c1-20(2,3)17-22-23-18(24(17)13-8-6-5-7-9-13)28-19-21-15-11-10-14(29(4,25)26)12-16(15)27-19/h5-12H,1-4H3