5-(2-azanyl-5-nitro-phenyl)sulfanyl-4-chloranyl-2-(2-diethylaminoethyl)pyridazin-3-one

Systemtic Name: 5-(2-azanyl-5-nitro-phenyl)sulfanyl-4-chloranyl-2-(2-diethylaminoethyl)pyridazin-3-one Openeye Name: 5-(2-amino-5-nitro-phenyl)sulfanyl-4-chloro-2-(2-diethylaminoethyl)pyridazin-3-one CAS Name: 5-[(2-amino-5-nitrophenyl)thio]-4-chloro-2-(2-diethylaminoethyl)-3-pyridazinone IUPAC Name: 5-(2-amino-5-nitrophenyl)sulfanyl-4-chloro-2-(2-diethylaminoethyl)pyridazin-3-one Traditional Name: 5-[(2-amino-5-nitro-phenyl)thio]-4-chloro-2-(2-diethylaminoethyl)pyridazin-3-one Formula: C16H20ClN5O3S MolecularWeight: 397.8797

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C(=O)C(=C(C=N1)SC2=C(C=CC(=C2)[N+](=O)[O-])N)Cl

Isomeric SMILES

CCN(CC)CCN1C(=O)C(=C(C=N1)SC2=C(C=CC(=C2)[N+](=O)[O-])N)Cl

InChI

InChI=1S/C16H20ClN5O3S/c1-3-20(4-2)7-8-21-16(23)15(17)14(10-19-21)26-13-9-11(22(24)25)5-6-12(13)18/h5-6,9-10H,3-4,7-8,18H2,1-2H3