6,7-diphenyl-2-[(pyridin-3-ylamino)methyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazole-3-thione

Systemtic Name: 6,7-diphenyl-2-[(pyridin-3-ylamino)methyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazole-3-thione Openeye Name: 6,7-diphenyl-2-[(3-pyridylamino)methyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazole-3-thione CAS Name: 6,7-diphenyl-2-[(3-pyridinylamino)methyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazole-3-thione IUPAC Name: 6,7-diphenyl-2-[(pyridin-3-ylamino)methyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazole-3-thione Traditional Name: 6,7-diphenyl-2-[(3-pyridylamino)methyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazole-3-thione Formula: C21H17N7S MolecularWeight: 399.47158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN3C(=NN(C3=S)CNC4=CN=CC=C4)N2C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NN3C(=NN(C3=S)CNC4=CN=CC=C4)N2C5=CC=CC=C5

InChI

InChI=1S/C21H17N7S/c29-21-26(15-23-17-10-7-13-22-14-17)25-20-27(18-11-5-2-6-12-18)19(24-28(20)21)16-8-3-1-4-9-16/h1-14,23H,15H2