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

Systemtic Name: 4-[(2-chlorophenyl)methylsulfanyl]-1-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one Openeye Name: 4-[(2-chlorophenyl)methylsulfanyl]-1-(4-pyridylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one CAS Name: 4-[(2-chlorophenyl)methylthio]-1-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one IUPAC Name: 4-[(2-chlorophenyl)methylsulfanyl]-1-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one Traditional Name: 4-[(2-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=C4Cl

Isomeric SMILES

C1CCC2=C(C1)C(=NC(=O)N2CC3=CC=NC=C3)SCC4=CC=CC=C4Cl

InChI

InChI=1S/C21H20ClN3OS/c22-18-7-3-1-5-16(18)14-27-20-17-6-2-4-8-19(17)25(21(26)24-20)13-15-9-11-23-12-10-15/h1,3,5,7,9-12H,2,4,6,8,13-14H2