5-(2-azanyl-5-nitro-phenyl)sulfanyl-4-chloranyl-2-[3-(dimethylamino)propyl]pyridazin-3-one

Systemtic Name: 5-(2-azanyl-5-nitro-phenyl)sulfanyl-4-chloranyl-2-[3-(dimethylamino)propyl]pyridazin-3-one Openeye Name: 5-(2-amino-5-nitro-phenyl)sulfanyl-4-chloro-2-[3-(dimethylamino)propyl]pyridazin-3-one CAS Name: 5-[(2-amino-5-nitrophenyl)thio]-4-chloro-2-[3-(dimethylamino)propyl]-3-pyridazinone IUPAC Name: 5-(2-amino-5-nitrophenyl)sulfanyl-4-chloro-2-[3-(dimethylamino)propyl]pyridazin-3-one Traditional Name: 5-[(2-amino-5-nitro-phenyl)thio]-4-chloro-2-[3-(dimethylamino)propyl]pyridazin-3-one Formula: C15H18ClN5O3S MolecularWeight: 383.85312

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN1C(=O)C(=C(C=N1)SC2=C(C=CC(=C2)[N+](=O)[O-])N)Cl

Isomeric SMILES

CN(C)CCCN1C(=O)C(=C(C=N1)SC2=C(C=CC(=C2)[N+](=O)[O-])N)Cl

InChI

InChI=1S/C15H18ClN5O3S/c1-19(2)6-3-7-20-15(22)14(16)13(9-18-20)25-12-8-10(21(23)24)4-5-11(12)17/h4-5,8-9H,3,6-7,17H2,1-2H3