2-(3,4-dimethylphenyl)-6-(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)pyridazin-3-one

Systemtic Name: 2-(3,4-dimethylphenyl)-6-(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)pyridazin-3-one Openeye Name: 2-(3,4-dimethylphenyl)-6-[4-(2-thienylsulfonyl)-1,4-diazepan-1-yl]pyridazin-3-one CAS Name: 2-(3,4-dimethylphenyl)-6-(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)-3-pyridazinone IUPAC Name: 2-(3,4-dimethylphenyl)-6-(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)pyridazin-3-one Traditional Name: 2-(3,4-dimethylphenyl)-6-[4-(2-thienylsulfonyl)-1,4-diazepan-1-yl]pyridazin-3-one Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C=CC(=N2)N3CCCN(CC3)S(=O)(=O)C4=CC=CS4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C=CC(=N2)N3CCCN(CC3)S(=O)(=O)C4=CC=CS4)C

InChI

InChI=1S/C21H24N4O3S2/c1-16-6-7-18(15-17(16)2)25-20(26)9-8-19(22-25)23-10-4-11-24(13-12-23)30(27,28)21-5-3-14-29-21/h3,5-9,14-15H,4,10-13H2,1-2H3