2-tert-butyl-4-chloranyl-5-[3-(3-methoxyphenyl)sulfanylpropylamino]pyridazin-3-one

Systemtic Name: 2-tert-butyl-4-chloranyl-5-[3-(3-methoxyphenyl)sulfanylpropylamino]pyridazin-3-one Openeye Name: 2-tert-butyl-4-chloro-5-[3-(3-methoxyphenyl)sulfanylpropylamino]pyridazin-3-one CAS Name: 2-tert-butyl-4-chloro-5-[3-[(3-methoxyphenyl)thio]propylamino]-3-pyridazinone IUPAC Name: 2-tert-butyl-4-chloro-5-[3-(3-methoxyphenyl)sulfanylpropylamino]pyridazin-3-one Traditional Name: 2-tert-butyl-4-chloro-5-[3-[(3-methoxyphenyl)thio]propylamino]pyridazin-3-one Formula: C18H24ClN3O2S MolecularWeight: 381.92006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C(=C(C=N1)NCCCSC2=CC=CC(=C2)OC)Cl

Isomeric SMILES

CC(C)(C)N1C(=O)C(=C(C=N1)NCCCSC2=CC=CC(=C2)OC)Cl

InChI

InChI=1S/C18H24ClN3O2S/c1-18(2,3)22-17(23)16(19)15(12-21-22)20-9-6-10-25-14-8-5-7-13(11-14)24-4/h5,7-8,11-12,20H,6,9-10H2,1-4H3