5-(cyclohexylmethyl)-3-thiophen-2-yl-1H-pyridazin-6-one hydrate

Systemtic Name: 5-(cyclohexylmethyl)-3-thiophen-2-yl-1H-pyridazin-6-one hydrate Openeye Name: 5-(cyclohexylmethyl)-3-(2-thienyl)-1H-pyridazin-6-one hydrate CAS Name: 5-(cyclohexylmethyl)-3-thiophen-2-yl-1H-pyridazin-6-one hydrate IUPAC Name: 5-(cyclohexylmethyl)-3-thiophen-2-yl-1H-pyridazin-6-one hydrate Traditional Name: 5-(cyclohexylmethyl)-3-(2-thienyl)-1H-pyridazin-6-one hydrate Formula: C15H20N2O2S MolecularWeight: 292.3965

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC2=CC(=NNC2=O)C3=CC=CS3.O

Isomeric SMILES

C1CCC(CC1)CC2=CC(=NNC2=O)C3=CC=CS3.O

InChI

InChI=1S/C15H18N2OS.H2O/c18-15-12(9-11-5-2-1-3-6-11)10-13(16-17-15)14-7-4-8-19-14;/h4,7-8,10-11H,1-3,5-6,9H2,(H,17,18);1H2