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

Systemtic Name: 5-chloranyl-2-[2-[4-(6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazin-8-yl)piperazin-1-yl]ethylsulfanyl]pyridine-3-carbonitrile Openeye Name: 5-chloro-2-[2-[4-(6-chloro-3-oxo-4H-1,4-benzoxazin-8-yl)piperazin-1-yl]ethylsulfanyl]pyridine-3-carbonitrile CAS Name: 5-chloro-2-[2-[4-(6-chloro-3-oxo-4H-1,4-benzoxazin-8-yl)-1-piperazinyl]ethylthio]-3-pyridinecarbonitrile IUPAC Name: 5-chloro-2-[2-[4-(6-chloro-3-oxo-4H-1,4-benzoxazin-8-yl)piperazin-1-yl]ethylsulfanyl]pyridine-3-carbonitrile Traditional Name: 5-chloro-2-[2-[4-(6-chloro-3-keto-4H-1,4-benzoxazin-8-yl)piperazino]ethylthio]nicotinonitrile Formula: C20H19Cl2N5O2S MolecularWeight: 464.36816

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCSC2=NC=C(C=C2C#N)Cl)C3=C4C(=CC(=C3)Cl)NC(=O)CO4

Isomeric SMILES

C1CN(CCN1CCSC2=NC=C(C=C2C#N)Cl)C3=C4C(=CC(=C3)Cl)NC(=O)CO4

InChI

InChI=1S/C20H19Cl2N5O2S/c21-14-8-16-19(29-12-18(28)25-16)17(9-14)27-3-1-26(2-4-27)5-6-30-20-13(10-23)7-15(22)11-24-20/h7-9,11H,1-6,12H2,(H,25,28)