2-[4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]-3-(6-sulfanylidene-1H-pyridazin-3-yl)phenyl]ethanenitrile

Systemtic Name: 2-[4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]-3-(6-sulfanylidene-1H-pyridazin-3-yl)phenyl]ethanenitrile Openeye Name: 2-[4-[2-hydroxy-3-(isopropylamino)propoxy]-3-(6-thioxo-1H-pyridazin-3-yl)phenyl]acetonitrile CAS Name: 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-(6-sulfanylidene-1H-pyridazin-3-yl)phenyl]acetonitrile IUPAC Name: 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-(6-sulfanylidene-1H-pyridazin-3-yl)phenyl]acetonitrile Traditional Name: 2-[4-[2-hydroxy-3-(isopropylamino)propoxy]-3-(6-thioxo-1H-pyridazin-3-yl)phenyl]acetonitrile Formula: C18H22N4O2S MolecularWeight: 358.45788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O2S/c1-12(2)20-10-14(23)11-24-17-5-3-13(7-8-19)9-15(17)16-4-6-18(25)22-21-16/h3-6,9,12,14,20,23H,7,10-11H2,1-2H3,(H,22,25)