5-(2-chloroethylamino)-2-methyl-4-(phenylmethyl)sulfonyl-pyridazin-3-one

Systemtic Name: 5-(2-chloroethylamino)-2-methyl-4-(phenylmethyl)sulfonyl-pyridazin-3-one Openeye Name: 4-benzylsulfonyl-5-(2-chloroethylamino)-2-methyl-pyridazin-3-one CAS Name: 5-(2-chloroethylamino)-2-methyl-4-(phenylmethyl)sulfonyl-3-pyridazinone IUPAC Name: 4-benzylsulfonyl-5-(2-chloroethylamino)-2-methylpyridazin-3-one Traditional Name: 4-benzylsulfonyl-5-(2-chloroethylamino)-2-methyl-pyridazin-3-one Formula: C14H16ClN3O3S MolecularWeight: 341.81314

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(C=N1)NCCCl)S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CN1C(=O)C(=C(C=N1)NCCCl)S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C14H16ClN3O3S/c1-18-14(19)13(12(9-17-18)16-8-7-15)22(20,21)10-11-5-3-2-4-6-11/h2-6,9,16H,7-8,10H2,1H3