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

Systemtic Name: N3-[3-[(3-fluorophenyl)methyl-pyridin-2-yl-amino]propyl]-1-oxidanylidene-1,2,5-thiadiazole-3,4-diamine Openeye Name: N3-[3-[(3-fluorophenyl)methyl-(2-pyridyl)amino]propyl]-1-oxo-1,2,5-thiadiazole-3,4-diamine CAS Name: N3-[3-[(3-fluorophenyl)methyl-(2-pyridinyl)amino]propyl]-1-oxo-1,2,5-thiadiazole-3,4-diamine IUPAC Name: 3-N-[3-[(3-fluorophenyl)methyl-pyridin-2-ylamino]propyl]-1-oxo-1,2,5-thiadiazole-3,4-diamine Traditional Name: 3-[(4-amino-1-keto-1,2,5-thiadiazol-3-yl)amino]propyl-(3-fluorobenzyl)-(2-pyridyl)amine Formula: C17H19FN6OS MolecularWeight: 374.435763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19FN6OS/c18-14-6-3-5-13(11-14)12-24(15-7-1-2-8-20-15)10-4-9-21-17-16(19)22-26(25)23-17/h1-3,5-8,11H,4,9-10,12H2,(H2,19,22)(H,21,23)