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

Systemtic Name: 2-[(3-tert-butyl-1,2,4-triazol-1-yl)sulfanyl]-6-methylsulfonyl-1,3-benzothiazole Openeye Name: 2-[(3-tert-butyl-1,2,4-triazol-1-yl)sulfanyl]-6-methylsulfonyl-1,3-benzothiazole CAS Name: 2-[(3-tert-butyl-1,2,4-triazol-1-yl)thio]-6-methylsulfonyl-1,3-benzothiazole IUPAC Name: 2-[(3-tert-butyl-1,2,4-triazol-1-yl)sulfanyl]-6-methylsulfonyl-1,3-benzothiazole Traditional Name: 2-[(3-tert-butyl-1,2,4-triazol-1-yl)thio]-6-mesyl-1,3-benzothiazole Formula: C14H16N4O2S3 MolecularWeight: 368.49744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C=N1)SC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)C1=NN(C=N1)SC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C14H16N4O2S3/c1-14(2,3)12-15-8-18(17-12)22-13-16-10-6-5-9(23(4,19)20)7-11(10)21-13/h5-8H,1-4H3