N3-[3-(dipyridin-2-ylamino)propyl]-1-oxidanylidene-N4-(pyridin-4-ylmethyl)-5H-1,2,4-thiadiazole-3,4-diamine

Systemtic Name: N3-[3-(dipyridin-2-ylamino)propyl]-1-oxidanylidene-N4-(pyridin-4-ylmethyl)-5H-1,2,4-thiadiazole-3,4-diamine Openeye Name: N3-[3-[bis(2-pyridyl)amino]propyl]-1-oxo-N4-(4-pyridylmethyl)-5H-1,2,4-thiadiazole-3,4-diamine CAS Name: N3-[3-[bis(2-pyridinyl)amino]propyl]-1-oxo-N4-(pyridin-4-ylmethyl)-5H-1,2,4-thiadiazole-3,4-diamine IUPAC Name: 3-N-[3-(dipyridin-2-ylamino)propyl]-1-oxo-4-N-(pyridin-4-ylmethyl)-5H-1,2,4-thiadiazole-3,4-diamine Traditional Name: 3-[[1-keto-4-(4-pyridylmethylamino)-5H-1,2,4-thiadiazol-3-yl]amino]propyl-bis(2-pyridyl)amine Formula: C21H24N8OS MolecularWeight: 436.53326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1N(C(=NS1=O)NCCCN(C2=CC=CC=N2)C3=CC=CC=N3)NCC4=CC=NC=C4

Isomeric SMILES

C1N(C(=NS1=O)NCCCN(C2=CC=CC=N2)C3=CC=CC=N3)NCC4=CC=NC=C4

InChI

InChI=1S/C21H24N8OS/c30-31-17-29(26-16-18-8-13-22-14-9-18)21(27-31)25-12-5-15-28(19-6-1-3-10-23-19)20-7-2-4-11-24-20/h1-4,6-11,13-14,26H,5,12,15-17H2,(H,25,27)