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

Systemtic Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-6-methylsulfonyl-1,3-benzothiazole Openeye Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-6-methylsulfonyl-1,3-benzothiazole CAS Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]-6-methylsulfonyl-1,3-benzothiazole IUPAC Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-6-methylsulfonyl-1,3-benzothiazole Traditional Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]-6-mesyl-1,3-benzothiazole Formula: C12H12N4O2S3 MolecularWeight: 340.44428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)SC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=NN=C(N1C)SC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C12H12N4O2S3/c1-7-14-15-11(16(7)2)20-12-13-9-5-4-8(21(3,17)18)6-10(9)19-12/h4-6H,1-3H3