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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)Cl)C#N)SCCN2CCN(CC2)C3=C4C(=CC(=C3)Cl)NC(=O)CO4

Isomeric SMILES

CC1=NC(=C(C(=C1)Cl)C#N)SCCN2CCN(CC2)C3=C4C(=CC(=C3)Cl)NC(=O)CO4

InChI

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