2-(4-chlorophenyl)-6-[4-[2-(4-methylpyrimidin-2-yl)sulfanylethanoyl]piperazin-1-yl]pyridazin-3-one

Systemtic Name: 2-(4-chlorophenyl)-6-[4-[2-(4-methylpyrimidin-2-yl)sulfanylethanoyl]piperazin-1-yl]pyridazin-3-one Openeye Name: 2-(4-chlorophenyl)-6-[4-[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]piperazin-1-yl]pyridazin-3-one CAS Name: 2-(4-chlorophenyl)-6-[4-[2-[(4-methyl-2-pyrimidinyl)thio]-1-oxoethyl]-1-piperazinyl]-3-pyridazinone IUPAC Name: 2-(4-chlorophenyl)-6-[4-[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]piperazin-1-yl]pyridazin-3-one Traditional Name: 2-(4-chlorophenyl)-6-[4-[2-[(4-methylpyrimidin-2-yl)thio]acetyl]piperazino]pyridazin-3-one Formula: C21H21ClN6O2S MolecularWeight: 456.94844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCC(=O)N2CCN(CC2)C3=NN(C(=O)C=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=NC(=NC=C1)SCC(=O)N2CCN(CC2)C3=NN(C(=O)C=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H21ClN6O2S/c1-15-8-9-23-21(24-15)31-14-20(30)27-12-10-26(11-13-27)18-6-7-19(29)28(25-18)17-4-2-16(22)3-5-17/h2-9H,10-14H2,1H3