6-[5-azanyl-6-oxidanylidene-6-(1,3-thiazolidin-3-yl)hexyl]pyridine-3-carbonitrile; phenylmethanamine

Systemtic Name: 6-[5-azanyl-6-oxidanylidene-6-(1,3-thiazolidin-3-yl)hexyl]pyridine-3-carbonitrile; phenylmethanamine Openeye Name: 6-(5-amino-6-oxo-6-thiazolidin-3-yl-hexyl)pyridine-3-carbonitrile; phenylmethanamine CAS Name: 6-[5-amino-6-oxo-6-(3-thiazolidinyl)hexyl]-3-pyridinecarbonitrile; phenylmethanamine IUPAC Name: 6-[5-amino-6-oxo-6-(1,3-thiazolidin-3-yl)hexyl]pyridine-3-carbonitrile; phenylmethanamine Traditional Name: 6-(5-amino-6-keto-6-thiazolidin-3-yl-hexyl)nicotinonitrile; benzylamine Formula: C22H29N5OS MolecularWeight: 411.56356

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCN1C(=O)C(CCCCC2=NC=C(C=C2)C#N)N.C1=CC=C(C=C1)CN

Isomeric SMILES

C1CSCN1C(=O)C(CCCCC2=NC=C(C=C2)C#N)N.C1=CC=C(C=C1)CN

InChI

InChI=1S/C15H20N4OS.C7H9N/c16-9-12-5-6-13(18-10-12)3-1-2-4-14(17)15(20)19-7-8-21-11-19;8-6-7-4-2-1-3-5-7/h5-6,10,14H,1-4,7-8,11,17H2;1-5H,6,8H2