2-azanyl-1-(1,3-thiazolidin-3-yl)hexan-1-one; 6-[(phenylmethyl)amino]pyridine-3-carbonitrile

Systemtic Name: 2-azanyl-1-(1,3-thiazolidin-3-yl)hexan-1-one; 6-[(phenylmethyl)amino]pyridine-3-carbonitrile Openeye Name: 2-amino-1-thiazolidin-3-yl-hexan-1-one; 6-(benzylamino)pyridine-3-carbonitrile CAS Name: 2-amino-1-(3-thiazolidinyl)-1-hexanone; 6-[(phenylmethyl)amino]-3-pyridinecarbonitrile IUPAC Name: 2-amino-1-(1,3-thiazolidin-3-yl)hexan-1-one; 6-(benzylamino)pyridine-3-carbonitrile Traditional Name: 2-amino-1-thiazolidin-3-yl-hexan-1-one; 6-(benzylamino)nicotinonitrile Formula: C22H29N5OS MolecularWeight: 411.56356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)N1CCSC1)N.C1=CC=C(C=C1)CNC2=NC=C(C=C2)C#N

Isomeric SMILES

CCCCC(C(=O)N1CCSC1)N.C1=CC=C(C=C1)CNC2=NC=C(C=C2)C#N

InChI

InChI=1S/C13H11N3.C9H18N2OS/c14-8-12-6-7-13(16-10-12)15-9-11-4-2-1-3-5-11;1-2-3-4-8(10)9(12)11-5-6-13-7-11/h1-7,10H,9H2,(H,15,16);8H,2-7,10H2,1H3