5-butyl-3-(4-chlorophenyl)sulfanyl-6-phenoxy-1-(phenylmethyl)pyridazin-4-one

Systemtic Name: 5-butyl-3-(4-chlorophenyl)sulfanyl-6-phenoxy-1-(phenylmethyl)pyridazin-4-one Openeye Name: 1-benzyl-5-butyl-3-(4-chlorophenyl)sulfanyl-6-phenoxy-pyridazin-4-one CAS Name: 5-butyl-3-[(4-chlorophenyl)thio]-6-phenoxy-1-(phenylmethyl)-4-pyridazinone IUPAC Name: 1-benzyl-5-butyl-3-(4-chlorophenyl)sulfanyl-6-phenoxypyridazin-4-one Traditional Name: 1-benzyl-5-butyl-3-[(4-chlorophenyl)thio]-6-phenoxy-pyridazin-4-one Formula: C27H25ClN2O2S MolecularWeight: 477.0176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(N=C(C1=O)SC2=CC=C(C=C2)Cl)CC3=CC=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CCCCC1=C(N(N=C(C1=O)SC2=CC=C(C=C2)Cl)CC3=CC=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C27H25ClN2O2S/c1-2-3-14-24-25(31)26(33-23-17-15-21(28)16-18-23)29-30(19-20-10-6-4-7-11-20)27(24)32-22-12-8-5-9-13-22/h4-13,15-18H,2-3,14,19H2,1H3