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

Systemtic Name: N4-[3-(dipyridin-2-ylamino)propyl]-1-oxidanylidene-N3-(pyridin-4-ylmethyl)-1,2,5-thiadiazole-3,4-diamine Openeye Name: N4-[3-[bis(2-pyridyl)amino]propyl]-1-oxo-N3-(4-pyridylmethyl)-1,2,5-thiadiazole-3,4-diamine CAS Name: N4-[3-[bis(2-pyridinyl)amino]propyl]-1-oxo-N3-(pyridin-4-ylmethyl)-1,2,5-thiadiazole-3,4-diamine IUPAC Name: 4-N-[3-(dipyridin-2-ylamino)propyl]-1-oxo-3-N-(pyridin-4-ylmethyl)-1,2,5-thiadiazole-3,4-diamine Traditional Name: 3-[[1-keto-4-(4-pyridylmethylamino)-1,2,5-thiadiazol-3-yl]amino]propyl-bis(2-pyridyl)amine Formula: C21H22N8OS MolecularWeight: 434.51738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)N(CCCNC2=NS(=O)N=C2NCC3=CC=NC=C3)C4=CC=CC=N4

Isomeric SMILES

C1=CC=NC(=C1)N(CCCNC2=NS(=O)N=C2NCC3=CC=NC=C3)C4=CC=CC=N4

InChI

InChI=1S/C21H22N8OS/c30-31-27-20(21(28-31)26-16-17-8-13-22-14-9-17)25-12-5-15-29(18-6-1-3-10-23-18)19-7-2-4-11-24-19/h1-4,6-11,13-14H,5,12,15-16H2,(H,25,27)(H,26,28)