2-(3,4-dimethylphenyl)-6-[4-(2-pyridin-4-ylsulfanylethanoyl)-1,4-diazepan-1-yl]pyridazin-3-one

Systemtic Name: 2-(3,4-dimethylphenyl)-6-[4-(2-pyridin-4-ylsulfanylethanoyl)-1,4-diazepan-1-yl]pyridazin-3-one Openeye Name: 2-(3,4-dimethylphenyl)-6-[4-[2-(4-pyridylsulfanyl)acetyl]-1,4-diazepan-1-yl]pyridazin-3-one CAS Name: 2-(3,4-dimethylphenyl)-6-[4-[1-oxo-2-(pyridin-4-ylthio)ethyl]-1,4-diazepan-1-yl]-3-pyridazinone IUPAC Name: 2-(3,4-dimethylphenyl)-6-[4-(2-pyridin-4-ylsulfanylacetyl)-1,4-diazepan-1-yl]pyridazin-3-one Traditional Name: 2-(3,4-dimethylphenyl)-6-[4-[2-(4-pyridylthio)acetyl]-1,4-diazepan-1-yl]pyridazin-3-one Formula: C24H27N5O2S MolecularWeight: 449.56848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C=CC(=N2)N3CCCN(CC3)C(=O)CSC4=CC=NC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C=CC(=N2)N3CCCN(CC3)C(=O)CSC4=CC=NC=C4)C

InChI

InChI=1S/C24H27N5O2S/c1-18-4-5-20(16-19(18)2)29-23(30)7-6-22(26-29)27-12-3-13-28(15-14-27)24(31)17-32-21-8-10-25-11-9-21/h4-11,16H,3,12-15,17H2,1-2H3