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

Systemtic Name: 1-[4-(6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazin-8-yl)piperazin-1-yl]-5-ethylsulfanyl-4,6-dimethyl-2H-pyridine-3-carbonitrile Openeye Name: 1-[4-(6-chloro-3-oxo-4H-1,4-benzoxazin-8-yl)piperazin-1-yl]-5-ethylsulfanyl-4,6-dimethyl-2H-pyridine-3-carbonitrile CAS Name: 1-[4-(6-chloro-3-oxo-4H-1,4-benzoxazin-8-yl)-1-piperazinyl]-5-(ethylthio)-4,6-dimethyl-2H-pyridine-3-carbonitrile IUPAC Name: 1-[4-(6-chloro-3-oxo-4H-1,4-benzoxazin-8-yl)piperazin-1-yl]-5-ethylsulfanyl-4,6-dimethyl-2H-pyridine-3-carbonitrile Traditional Name: 1-[4-(6-chloro-3-keto-4H-1,4-benzoxazin-8-yl)piperazino]-5-(ethylthio)-4,6-dimethyl-2H-pyridine-3-carbonitrile Formula: C22H26ClN5O2S MolecularWeight: 459.99214

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(N(CC(=C1C)C#N)N2CCN(CC2)C3=C4C(=CC(=C3)Cl)NC(=O)CO4)C

Isomeric SMILES

CCSC1=C(N(CC(=C1C)C#N)N2CCN(CC2)C3=C4C(=CC(=C3)Cl)NC(=O)CO4)C

InChI

InChI=1S/C22H26ClN5O2S/c1-4-31-22-14(2)16(11-24)12-28(15(22)3)27-7-5-26(6-8-27)19-10-17(23)9-18-21(19)30-13-20(29)25-18/h9-10H,4-8,12-13H2,1-3H3,(H,25,29)