2-[2-[4-(8-cyano-2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethylsulfanyl]-6-methyl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-[4-(8-cyano-2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethylsulfanyl]-6-methyl-pyridine-3-carbonitrile Openeye Name: 2-[2-[4-(8-cyano-2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethylsulfanyl]-6-methyl-pyridine-3-carbonitrile CAS Name: 2-[2-[4-(8-cyano-2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl]ethylthio]-6-methyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-[4-(8-cyano-2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethylsulfanyl]-6-methylpyridine-3-carbonitrile Traditional Name: 2-[2-[4-(8-cyano-2,3-dihydro-1,4-benzodioxin-5-yl)piperazino]ethylthio]-6-methyl-nicotinonitrile Formula: C22H23N5O2S MolecularWeight: 421.51532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C#N)SCCN2CCN(CC2)C3=C4C(=C(C=C3)C#N)OCCO4

Isomeric SMILES

CC1=NC(=C(C=C1)C#N)SCCN2CCN(CC2)C3=C4C(=C(C=C3)C#N)OCCO4

InChI

InChI=1S/C22H23N5O2S/c1-16-2-3-18(15-24)22(25-16)30-13-10-26-6-8-27(9-7-26)19-5-4-17(14-23)20-21(19)29-12-11-28-20/h2-5H,6-13H2,1H3