2-azanyl-6-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylsulfanyl]-4-propyl-pyridine-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylsulfanyl]-4-propyl-pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-6-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylsulfanyl]-4-propyl-pyridine-3,5-dicarbonitrile CAS Name: 2-amino-6-[3-[4-(3-chlorophenyl)-1-piperazinyl]propylthio]-4-propylpyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylsulfanyl]-4-propylpyridine-3,5-dicarbonitrile Traditional Name: 2-amino-6-[3-[4-(3-chlorophenyl)piperazino]propylthio]-4-propyl-dinicotinonitrile Formula: C23H27ClN6S MolecularWeight: 455.01868

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NC(=C1C#N)SCCCN2CCN(CC2)C3=CC(=CC=C3)Cl)N)C#N

Isomeric SMILES

CCCC1=C(C(=NC(=C1C#N)SCCCN2CCN(CC2)C3=CC(=CC=C3)Cl)N)C#N

InChI

InChI=1S/C23H27ClN6S/c1-2-5-19-20(15-25)22(27)28-23(21(19)16-26)31-13-4-8-29-9-11-30(12-10-29)18-7-3-6-17(24)14-18/h3,6-7,14H,2,4-5,8-13H2,1H3,(H2,27,28)