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

Systemtic Name: 6-chloranyl-2-[2-[4-(6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazin-8-yl)piperazin-1-yl]ethylsulfanyl]pyridine-3-carbonitrile Openeye Name: 6-chloro-2-[2-[4-(6-chloro-3-oxo-4H-1,4-benzoxazin-8-yl)piperazin-1-yl]ethylsulfanyl]pyridine-3-carbonitrile CAS Name: 6-chloro-2-[2-[4-(6-chloro-3-oxo-4H-1,4-benzoxazin-8-yl)-1-piperazinyl]ethylthio]-3-pyridinecarbonitrile IUPAC Name: 6-chloro-2-[2-[4-(6-chloro-3-oxo-4H-1,4-benzoxazin-8-yl)piperazin-1-yl]ethylsulfanyl]pyridine-3-carbonitrile Traditional Name: 6-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=C(C=CC(=N2)Cl)C#N)C3=C4C(=CC(=C3)Cl)NC(=O)CO4

Isomeric SMILES

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

InChI

InChI=1S/C20H19Cl2N5O2S/c21-14-9-15-19(29-12-18(28)24-15)16(10-14)27-5-3-26(4-6-27)7-8-30-20-13(11-23)1-2-17(22)25-20/h1-2,9-10H,3-8,12H2,(H,24,28)