3-(1,3-benzothiazol-2-ylmethylsulfanyl)-5-(trifluoromethyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-(1,3-benzothiazol-2-ylmethylsulfanyl)-5-(trifluoromethyl)-1,2,4-triazol-4-amine Openeye Name: 3-(1,3-benzothiazol-2-ylmethylsulfanyl)-5-(trifluoromethyl)-1,2,4-triazol-4-amine CAS Name: 3-(1,3-benzothiazol-2-ylmethylthio)-5-(trifluoromethyl)-1,2,4-triazol-4-amine IUPAC Name: 3-(1,3-benzothiazol-2-ylmethylsulfanyl)-5-(trifluoromethyl)-1,2,4-triazol-4-amine Traditional Name: [3-(1,3-benzothiazol-2-ylmethylthio)-5-(trifluoromethyl)-1,2,4-triazol-4-yl]amine Formula: C11H8F3N5S2 MolecularWeight: 331.33993

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CSC3=NN=C(N3N)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CSC3=NN=C(N3N)C(F)(F)F

InChI

InChI=1S/C11H8F3N5S2/c12-11(13,14)9-17-18-10(19(9)15)20-5-8-16-6-3-1-2-4-7(6)21-8/h1-4H,5,15H2