[4-[3-[(5-chloranyl-6-oxidanylidene-1-propan-2-yl-pyridazin-4-yl)amino]-2-oxidanyl-propoxy]-3-propyl-phenyl] thiocyanate

Systemtic Name: [4-[3-[(5-chloranyl-6-oxidanylidene-1-propan-2-yl-pyridazin-4-yl)amino]-2-oxidanyl-propoxy]-3-propyl-phenyl] thiocyanate Openeye Name: [4-[3-[(5-chloro-1-isopropyl-6-oxo-pyridazin-4-yl)amino]-2-hydroxy-propoxy]-3-propyl-phenyl] thiocyanate CAS Name: thiocyanic acid [4-[3-[(5-chloro-6-oxo-1-propan-2-yl-4-pyridazinyl)amino]-2-hydroxypropoxy]-3-propylphenyl] ester IUPAC Name: [4-[3-[(5-chloro-6-oxo-1-propan-2-ylpyridazin-4-yl)amino]-2-hydroxypropoxy]-3-propylphenyl] thiocyanate Traditional Name: thiocyanic acid [4-[3-[(5-chloro-1-isopropyl-6-keto-pyridazin-4-yl)amino]-2-hydroxy-propoxy]-3-propyl-phenyl] ester Formula: C20H25ClN4O3S MolecularWeight: 436.9555

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)SC#N)OCC(CNC2=C(C(=O)N(N=C2)C(C)C)Cl)O

Isomeric SMILES

CCCC1=C(C=CC(=C1)SC#N)OCC(CNC2=C(C(=O)N(N=C2)C(C)C)Cl)O

InChI

InChI=1S/C20H25ClN4O3S/c1-4-5-14-8-16(29-12-22)6-7-18(14)28-11-15(26)9-23-17-10-24-25(13(2)3)20(27)19(17)21/h6-8,10,13,15,23,26H,4-5,9,11H2,1-3H3