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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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