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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C=N1)SC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCCCC1=NN(C=N1)SC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C14H16N4O2S3/c1-3-4-5-13-15-9-18(17-13)22-14-16-11-7-6-10(23(2,19)20)8-12(11)21-14/h6-9H,3-5H2,1-2H3