5-chloranyl-4-[(3,4-dimethoxyphenyl)methylamino]-3-propylsulfanyl-1H-pyridazin-6-one

Systemtic Name: 5-chloranyl-4-[(3,4-dimethoxyphenyl)methylamino]-3-propylsulfanyl-1H-pyridazin-6-one Openeye Name: 5-chloro-4-[(3,4-dimethoxyphenyl)methylamino]-3-propylsulfanyl-1H-pyridazin-6-one CAS Name: 5-chloro-4-[(3,4-dimethoxyphenyl)methylamino]-3-(propylthio)-1H-pyridazin-6-one IUPAC Name: 5-chloro-4-[(3,4-dimethoxyphenyl)methylamino]-3-propylsulfanyl-1H-pyridazin-6-one Traditional Name: 5-chloro-3-(propylthio)-4-(veratrylamino)-1H-pyridazin-6-one Formula: C16H20ClN3O3S MolecularWeight: 369.8663

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NNC(=O)C(=C1NCC2=CC(=C(C=C2)OC)OC)Cl

Isomeric SMILES

CCCSC1=NNC(=O)C(=C1NCC2=CC(=C(C=C2)OC)OC)Cl

InChI

InChI=1S/C16H20ClN3O3S/c1-4-7-24-16-14(13(17)15(21)19-20-16)18-9-10-5-6-11(22-2)12(8-10)23-3/h5-6,8H,4,7,9H2,1-3H3,(H2,18,19,21)