2-(4-chlorophenyl)-7-oxidanylidene-10-propyl-5,6-dihydro-[1]benzothiepino[5,4-c]pyridazin-3-one

Systemtic Name: 2-(4-chlorophenyl)-7-oxidanylidene-10-propyl-5,6-dihydro-[1]benzothiepino[5,4-c]pyridazin-3-one Openeye Name: 2-(4-chlorophenyl)-7-oxo-10-propyl-5,6-dihydro-[1]benzothiepino[5,4-c]pyridazin-3-one CAS Name: 2-(4-chlorophenyl)-7-oxo-10-propyl-5,6-dihydro-[1]benzothiepino[5,4-c]pyridazin-3-one IUPAC Name: 2-(4-chlorophenyl)-7-oxo-10-propyl-5,6-dihydro-[1]benzothiepino[5,4-c]pyridazin-3-one Traditional Name: 2-(4-chlorophenyl)-7-keto-10-propyl-5,6-dihydro-[1]benzothiepino[5,4-c]pyridazin-3-one Formula: C21H19ClN2O2S MolecularWeight: 398.90576

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C=C1)S(=O)CCC3=CC(=O)N(N=C32)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCC1=CC2=C(C=C1)S(=O)CCC3=CC(=O)N(N=C32)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H19ClN2O2S/c1-2-3-14-4-9-19-18(12-14)21-15(10-11-27(19)26)13-20(25)24(23-21)17-7-5-16(22)6-8-17/h4-9,12-13H,2-3,10-11H2,1H3