4-chloranyl-2-[3-[[2-methyl-1-[(6-sulfanylidene-1H-pyridazin-3-yl)oxy]propan-2-yl]amino]-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 4-chloranyl-2-[3-[[2-methyl-1-[(6-sulfanylidene-1H-pyridazin-3-yl)oxy]propan-2-yl]amino]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-chloro-2-[3-[[1,1-dimethyl-2-[(6-thioxo-1H-pyridazin-3-yl)oxy]ethyl]amino]-2-hydroxy-propoxy]benzonitrile CAS Name: 4-chloro-2-[2-hydroxy-3-[[2-methyl-1-[(6-sulfanylidene-1H-pyridazin-3-yl)oxy]propan-2-yl]amino]propoxy]benzonitrile IUPAC Name: 4-chloro-2-[2-hydroxy-3-[[2-methyl-1-[(6-sulfanylidene-1H-pyridazin-3-yl)oxy]propan-2-yl]amino]propoxy]benzonitrile Traditional Name: 4-chloro-2-[3-[[1,1-dimethyl-2-[(6-thioxo-1H-pyridazin-3-yl)oxy]ethyl]amino]-2-hydroxy-propoxy]benzonitrile Formula: C18H21ClN4O3S MolecularWeight: 408.90234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(COC1=NNC(=S)C=C1)NCC(COC2=C(C=CC(=C2)Cl)C#N)O

Isomeric SMILES

CC(C)(COC1=NNC(=S)C=C1)NCC(COC2=C(C=CC(=C2)Cl)C#N)O

InChI

InChI=1S/C18H21ClN4O3S/c1-18(2,11-26-16-5-6-17(27)23-22-16)21-9-14(24)10-25-15-7-13(19)4-3-12(15)8-20/h3-7,14,21,24H,9-11H2,1-2H3,(H,23,27)