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

Systemtic Name: 2-[2-[4-(6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazin-8-yl)piperazin-1-yl]ethylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[2-[4-(6-chloro-3-oxo-4H-1,4-benzoxazin-8-yl)piperazin-1-yl]ethylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[2-[4-(6-chloro-3-oxo-4H-1,4-benzoxazin-8-yl)-1-piperazinyl]ethylthio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-[4-(6-chloro-3-oxo-4H-1,4-benzoxazin-8-yl)piperazin-1-yl]ethylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[2-[4-(6-chloro-3-keto-4H-1,4-benzoxazin-8-yl)piperazino]ethylthio]-4,6-dimethyl-nicotinonitrile Formula: C22H24ClN5O2S MolecularWeight: 457.97626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCCN2CCN(CC2)C3=C4C(=CC(=C3)Cl)NC(=O)CO4)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCCN2CCN(CC2)C3=C4C(=CC(=C3)Cl)NC(=O)CO4)C

InChI

InChI=1S/C22H24ClN5O2S/c1-14-9-15(2)25-22(17(14)12-24)31-8-7-27-3-5-28(6-4-27)19-11-16(23)10-18-21(19)30-13-20(29)26-18/h9-11H,3-8,13H2,1-2H3,(H,26,29)