4-[3-(tert-butylamino)-2-oxidanyl-propoxy]-3-(6-sulfanylidene-1H-pyridazin-3-yl)benzenecarbonitrile

Systemtic Name: 4-[3-(tert-butylamino)-2-oxidanyl-propoxy]-3-(6-sulfanylidene-1H-pyridazin-3-yl)benzenecarbonitrile Openeye Name: 4-[3-(tert-butylamino)-2-hydroxy-propoxy]-3-(6-thioxo-1H-pyridazin-3-yl)benzonitrile CAS Name: 4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(6-sulfanylidene-1H-pyridazin-3-yl)benzonitrile IUPAC Name: 4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(6-sulfanylidene-1H-pyridazin-3-yl)benzonitrile Traditional Name: 4-[3-(tert-butylamino)-2-hydroxy-propoxy]-3-(6-thioxo-1H-pyridazin-3-yl)benzonitrile Formula: C18H22N4O2S MolecularWeight: 358.45788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O2S/c1-18(2,3)20-10-13(23)11-24-16-6-4-12(9-19)8-14(16)15-5-7-17(25)22-21-15/h4-8,13,20,23H,10-11H2,1-3H3,(H,22,25)