1-oxidanylidene-N3-[3-[pyridin-2-yl(pyridin-4-ylmethyl)amino]propyl]-1,2,5-thiadiazole-3,4-diamine

Systemtic Name: 1-oxidanylidene-N3-[3-[pyridin-2-yl(pyridin-4-ylmethyl)amino]propyl]-1,2,5-thiadiazole-3,4-diamine Openeye Name: 1-oxo-N3-[3-[2-pyridyl(4-pyridylmethyl)amino]propyl]-1,2,5-thiadiazole-3,4-diamine CAS Name: 1-oxo-N3-[3-[2-pyridinyl(pyridin-4-ylmethyl)amino]propyl]-1,2,5-thiadiazole-3,4-diamine IUPAC Name: 1-oxo-3-N-[3-[pyridin-2-yl(pyridin-4-ylmethyl)amino]propyl]-1,2,5-thiadiazole-3,4-diamine Traditional Name: 3-[(4-amino-1-keto-1,2,5-thiadiazol-3-yl)amino]propyl-(2-pyridyl)-(4-pyridylmethyl)amine Formula: C16H19N7OS MolecularWeight: 357.43336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)N(CCCNC2=NS(=O)N=C2N)CC3=CC=NC=C3

Isomeric SMILES

C1=CC=NC(=C1)N(CCCNC2=NS(=O)N=C2N)CC3=CC=NC=C3

InChI

InChI=1S/C16H19N7OS/c17-15-16(22-25(24)21-15)20-8-3-11-23(14-4-1-2-7-19-14)12-13-5-9-18-10-6-13/h1-2,4-7,9-10H,3,8,11-12H2,(H2,17,21)(H,20,22)