(2-ethylsulfanylphenyl)-[4-(6-propoxypyridazin-3-yl)piperazin-1-yl]methanone hydrochloride

Systemtic Name: (2-ethylsulfanylphenyl)-[4-(6-propoxypyridazin-3-yl)piperazin-1-yl]methanone hydrochloride Openeye Name: (2-ethylsulfanylphenyl)-[4-(6-propoxypyridazin-3-yl)piperazin-1-yl]methanone hydrochloride CAS Name: [2-(ethylthio)phenyl]-[4-(6-propoxy-3-pyridazinyl)-1-piperazinyl]methanone hydrochloride IUPAC Name: (2-ethylsulfanylphenyl)-[4-(6-propoxypyridazin-3-yl)piperazin-1-yl]methanone hydrochloride Traditional Name: [2-(ethylthio)phenyl]-[4-(6-propoxypyridazin-3-yl)piperazino]methanone hydrochloride Formula: C20H27ClN4O2S MolecularWeight: 422.97198

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NN=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3SCC.Cl

Isomeric SMILES

CCCOC1=NN=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3SCC.Cl

InChI

InChI=1S/C20H26N4O2S.ClH/c1-3-15-26-19-10-9-18(21-22-19)23-11-13-24(14-12-23)20(25)16-7-5-6-8-17(16)27-4-2;/h5-10H,3-4,11-15H2,1-2H3;1H