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

Systemtic Name: 1-oxidanylidene-N3-[3-[(phenylmethyl)-pyridin-2-yl-amino]propyl]-1,2,5-thiadiazole-3,4-diamine Openeye Name: N3-[3-[benzyl(2-pyridyl)amino]propyl]-1-oxo-1,2,5-thiadiazole-3,4-diamine CAS Name: 1-oxo-N3-[3-[(phenylmethyl)-(2-pyridinyl)amino]propyl]-1,2,5-thiadiazole-3,4-diamine IUPAC Name: 3-N-[3-[benzyl(pyridin-2-yl)amino]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-benzyl-(2-pyridyl)amine Formula: C17H20N6OS MolecularWeight: 356.4453

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCCNC2=NS(=O)N=C2N)C3=CC=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)CN(CCCNC2=NS(=O)N=C2N)C3=CC=CC=N3

InChI

InChI=1S/C17H20N6OS/c18-16-17(22-25(24)21-16)20-11-6-12-23(15-9-4-5-10-19-15)13-14-7-2-1-3-8-14/h1-5,7-10H,6,11-13H2,(H2,18,21)(H,20,22)