2-azanyl-6-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-pyridine-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-6-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-pyridine-3,5-dicarbonitrile CAS Name: 2-amino-6-[[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]thio]pyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanylpyridine-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[2-(4-benzylpiperidino)-2-keto-ethyl]thio]dinicotinonitrile Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSC3=C(C=C(C(=N3)N)C#N)C#N

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSC3=C(C=C(C(=N3)N)C#N)C#N

InChI

InChI=1S/C21H21N5OS/c22-12-17-11-18(13-23)21(25-20(17)24)28-14-19(27)26-8-6-16(7-9-26)10-15-4-2-1-3-5-15/h1-5,11,16H,6-10,14H2,(H2,24,25)