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

Systemtic Name: 4-[(3-chlorophenyl)methylsulfanyl]-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one Openeye Name: 4-[(3-chlorophenyl)methylsulfanyl]-1-(3-pyridylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one CAS Name: 4-[(3-chlorophenyl)methylthio]-1-(3-pyridinylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one IUPAC Name: 4-[(3-chlorophenyl)methylsulfanyl]-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one Traditional Name: 4-[(3-chlorobenzyl)thio]-1-(3-pyridylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one Formula: C21H20ClN3OS MolecularWeight: 397.921

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3OS/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