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

Systemtic Name: 4-[(4-fluorophenyl)methylsulfanyl]-1-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one Openeye Name: 4-[(4-fluorophenyl)methylsulfanyl]-1-(4-pyridylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one CAS Name: 4-[(4-fluorophenyl)methylthio]-1-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one IUPAC Name: 4-[(4-fluorophenyl)methylsulfanyl]-1-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one Traditional Name: 4-[(4-fluorobenzyl)thio]-1-(4-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=CC=NC=C3)SCC4=CC=C(C=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C21H20FN3OS/c22-17-7-5-16(6-8-17)14-27-20-18-3-1-2-4-19(18)25(21(26)24-20)13-15-9-11-23-12-10-15/h5-12H,1-4,13-14H2