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

Systemtic Name: 6-chloranyl-2-[2-[4-(6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazin-8-yl)piperazin-1-yl]ethylsulfanyl]-4-methyl-pyridine-3-carbonitrile Openeye Name: 6-chloro-2-[2-[4-(6-chloro-3-oxo-4H-1,4-benzoxazin-8-yl)piperazin-1-yl]ethylsulfanyl]-4-methyl-pyridine-3-carbonitrile CAS Name: 6-chloro-2-[2-[4-(6-chloro-3-oxo-4H-1,4-benzoxazin-8-yl)-1-piperazinyl]ethylthio]-4-methyl-3-pyridinecarbonitrile IUPAC Name: 6-chloro-2-[2-[4-(6-chloro-3-oxo-4H-1,4-benzoxazin-8-yl)piperazin-1-yl]ethylsulfanyl]-4-methylpyridine-3-carbonitrile Traditional Name: 6-chloro-2-[2-[4-(6-chloro-3-keto-4H-1,4-benzoxazin-8-yl)piperazino]ethylthio]-4-methyl-nicotinonitrile Formula: C21H21Cl2N5O2S MolecularWeight: 478.39474

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H21Cl2N5O2S/c1-13-8-18(23)26-21(15(13)11-24)31-7-6-27-2-4-28(5-3-27)17-10-14(22)9-16-20(17)30-12-19(29)25-16/h8-10H,2-7,12H2,1H3,(H,25,29)