4,6-bis(azanyl)-2-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 4,6-bis(azanyl)-2-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 4,6-diamino-2-[2-(azocan-1-yl)-2-oxo-ethyl]sulfanyl-pyridine-3-carbonitrile CAS Name: 4,6-diamino-2-[[2-(1-azocanyl)-2-oxoethyl]thio]-3-pyridinecarbonitrile IUPAC Name: 4,6-diamino-2-[2-(azocan-1-yl)-2-oxoethyl]sulfanylpyridine-3-carbonitrile Traditional Name: 4,6-diamino-2-[[2-(azocan-1-yl)-2-keto-ethyl]thio]nicotinonitrile Formula: C15H21N5OS MolecularWeight: 319.42514

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)CSC2=C(C(=CC(=N2)N)N)C#N

Isomeric SMILES

C1CCCN(CCC1)C(=O)CSC2=C(C(=CC(=N2)N)N)C#N

InChI

InChI=1S/C15H21N5OS/c16-9-11-12(17)8-13(18)19-15(11)22-10-14(21)20-6-4-2-1-3-5-7-20/h8H,1-7,10H2,(H4,17,18,19)