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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3OS/c22-17-5-3-4-16(12-17)14-27-20-18-6-1-2-7-19(18)25(21(26)24-20)13-15-8-10-23-11-9-15/h3-5,8-12H,1-2,6-7,13-14H2