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

Systemtic Name: 5-chloranyl-2-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethylsulfanyl]pyridine-3-carbonitrile Openeye Name: 5-chloro-2-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethylsulfanyl]pyridine-3-carbonitrile CAS Name: 5-chloro-2-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl]ethylthio]-3-pyridinecarbonitrile IUPAC Name: 5-chloro-2-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethylsulfanyl]pyridine-3-carbonitrile Traditional Name: 5-chloro-2-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazino]ethylthio]nicotinonitrile Formula: C20H21ClN4O2S MolecularWeight: 416.92434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCSC2=NC=C(C=C2C#N)Cl)C3=C4C(=CC=C3)OCCO4

Isomeric SMILES

C1CN(CCN1CCSC2=NC=C(C=C2C#N)Cl)C3=C4C(=CC=C3)OCCO4

InChI

InChI=1S/C20H21ClN4O2S/c21-16-12-15(13-22)20(23-14-16)28-11-8-24-4-6-25(7-5-24)17-2-1-3-18-19(17)27-10-9-26-18/h1-3,12,14H,4-11H2