4-chloranyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-2-phenyl-pyridazin-3-one

Systemtic Name: 4-chloranyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-2-phenyl-pyridazin-3-one Openeye Name: 4-chloro-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-2-phenyl-pyridazin-3-one CAS Name: 4-chloro-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-2-phenyl-3-pyridazinone IUPAC Name: 4-chloro-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-2-phenylpyridazin-3-one Traditional Name: 4-chloro-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-2-phenyl-pyridazin-3-one Formula: C19H15ClN2O3S MolecularWeight: 386.852

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SC3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SC3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl)OC1

InChI

InChI=1S/C19H15ClN2O3S/c20-18-17(12-21-22(19(18)23)13-5-2-1-3-6-13)26-14-7-8-15-16(11-14)25-10-4-9-24-15/h1-3,5-8,11-12H,4,9-10H2