4-[(3-fluorophenyl)methylsulfanyl]-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one

Systemtic Name: 4-[(3-fluorophenyl)methylsulfanyl]-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one Openeye Name: 4-[(3-fluorophenyl)methylsulfanyl]-1-(3-pyridylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one CAS Name: 4-[(3-fluorophenyl)methylthio]-1-(3-pyridinylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one IUPAC Name: 4-[(3-fluorophenyl)methylsulfanyl]-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one Traditional Name: 4-[(3-fluorobenzyl)thio]-1-(3-pyridylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one Formula: C21H20FN3OS MolecularWeight: 381.466403

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=NC(=O)N2CC3=CN=CC=C3)SCC4=CC(=CC=C4)F

Isomeric SMILES

C1CCC2=C(C1)C(=NC(=O)N2CC3=CN=CC=C3)SCC4=CC(=CC=C4)F

InChI

InChI=1S/C21H20FN3OS/c22-17-7-3-5-15(11-17)14-27-20-18-8-1-2-9-19(18)25(21(26)24-20)13-16-6-4-10-23-12-16/h3-7,10-12H,1-2,8-9,13-14H2