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

Systemtic Name: 2-[2-[4-(6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazin-8-yl)piperazin-1-yl]ethylsulfanyl]pyridine-3-carbonitrile Openeye Name: 2-[2-[4-(6-chloro-3-oxo-4H-1,4-benzoxazin-8-yl)piperazin-1-yl]ethylsulfanyl]pyridine-3-carbonitrile CAS Name: 2-[2-[4-(6-chloro-3-oxo-4H-1,4-benzoxazin-8-yl)-1-piperazinyl]ethylthio]-3-pyridinecarbonitrile IUPAC Name: 2-[2-[4-(6-chloro-3-oxo-4H-1,4-benzoxazin-8-yl)piperazin-1-yl]ethylsulfanyl]pyridine-3-carbonitrile Traditional Name: 2-[2-[4-(6-chloro-3-keto-4H-1,4-benzoxazin-8-yl)piperazino]ethylthio]nicotinonitrile Formula: C20H20ClN5O2S MolecularWeight: 429.9231

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCSC2=C(C=CC=N2)C#N)C3=C4C(=CC(=C3)Cl)NC(=O)CO4

Isomeric SMILES

C1CN(CCN1CCSC2=C(C=CC=N2)C#N)C3=C4C(=CC(=C3)Cl)NC(=O)CO4

InChI

InChI=1S/C20H20ClN5O2S/c21-15-10-16-19(28-13-18(27)24-16)17(11-15)26-6-4-25(5-7-26)8-9-29-20-14(12-22)2-1-3-23-20/h1-3,10-11H,4-9,13H2,(H,24,27)