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

Systemtic Name: 6-chloranyl-2-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethylsulfanyl]-4-methyl-pyridine-3-carbonitrile Openeye Name: 6-chloro-2-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethylsulfanyl]-4-methyl-pyridine-3-carbonitrile CAS Name: 6-chloro-2-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl]ethylthio]-4-methyl-3-pyridinecarbonitrile IUPAC Name: 6-chloro-2-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethylsulfanyl]-4-methylpyridine-3-carbonitrile Traditional Name: 6-chloro-2-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazino]ethylthio]-4-methyl-nicotinonitrile Formula: C21H23ClN4O2S MolecularWeight: 430.95092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCCN2CCN(CC2)C3=C4C(=CC=C3)OCCO4)Cl

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCCN2CCN(CC2)C3=C4C(=CC=C3)OCCO4)Cl

InChI

InChI=1S/C21H23ClN4O2S/c1-15-13-19(22)24-21(16(15)14-23)29-12-9-25-5-7-26(8-6-25)17-3-2-4-18-20(17)28-11-10-27-18/h2-4,13H,5-12H2,1H3