2-[2-[4-(6-chloranyl-3,4-dihydro-2H-1,4-benzoxazin-8-yl)piperazin-1-yl]ethylsulfanyl]pyridine-3-carbonitrile

Systemtic Name: 2-[2-[4-(6-chloranyl-3,4-dihydro-2H-1,4-benzoxazin-8-yl)piperazin-1-yl]ethylsulfanyl]pyridine-3-carbonitrile Openeye Name: 2-[2-[4-(6-chloro-3,4-dihydro-2H-1,4-benzoxazin-8-yl)piperazin-1-yl]ethylsulfanyl]pyridine-3-carbonitrile CAS Name: 2-[2-[4-(6-chloro-3,4-dihydro-2H-1,4-benzoxazin-8-yl)-1-piperazinyl]ethylthio]-3-pyridinecarbonitrile IUPAC Name: 2-[2-[4-(6-chloro-3,4-dihydro-2H-1,4-benzoxazin-8-yl)piperazin-1-yl]ethylsulfanyl]pyridine-3-carbonitrile Traditional Name: 2-[2-[4-(6-chloro-3,4-dihydro-2H-1,4-benzoxazin-8-yl)piperazino]ethylthio]nicotinonitrile Formula: C20H22ClN5OS MolecularWeight: 415.93958

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2N1)Cl)N3CCN(CC3)CCSC4=C(C=CC=N4)C#N

Isomeric SMILES

C1COC2=C(C=C(C=C2N1)Cl)N3CCN(CC3)CCSC4=C(C=CC=N4)C#N

InChI

InChI=1S/C20H22ClN5OS/c21-16-12-17-19(27-10-4-23-17)18(13-16)26-7-5-25(6-8-26)9-11-28-20-15(14-22)2-1-3-24-20/h1-3,12-13,23H,4-11H2