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

Systemtic Name: 5-(2-azanyl-5-nitro-phenyl)sulfanyl-4-chloranyl-2-(2-dimethylaminoethyl)pyridazin-3-one Openeye Name: 5-(2-amino-5-nitro-phenyl)sulfanyl-4-chloro-2-(2-dimethylaminoethyl)pyridazin-3-one CAS Name: 5-[(2-amino-5-nitrophenyl)thio]-4-chloro-2-(2-dimethylaminoethyl)-3-pyridazinone IUPAC Name: 5-(2-amino-5-nitrophenyl)sulfanyl-4-chloro-2-(2-dimethylaminoethyl)pyridazin-3-one Traditional Name: 5-[(2-amino-5-nitro-phenyl)thio]-4-chloro-2-(2-dimethylaminoethyl)pyridazin-3-one Formula: C14H16ClN5O3S MolecularWeight: 369.82654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16ClN5O3S/c1-18(2)5-6-19-14(21)13(15)12(8-17-19)24-11-7-9(20(22)23)3-4-10(11)16/h3-4,7-8H,5-6,16H2,1-2H3