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

Systemtic Name: 4-[(4-methylphenyl)methylsulfanyl]-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one Openeye Name: 4-(p-tolylmethylsulfanyl)-1-(3-pyridylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one CAS Name: 4-[(4-methylphenyl)methylthio]-1-(3-pyridinylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one IUPAC Name: 4-[(4-methylphenyl)methylsulfanyl]-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one Traditional Name: 4-[(4-methylbenzyl)thio]-1-(3-pyridylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one Formula: C22H23N3OS MolecularWeight: 377.50252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC(=O)N(C3=C2CCCC3)CC4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC(=O)N(C3=C2CCCC3)CC4=CN=CC=C4

InChI

InChI=1S/C22H23N3OS/c1-16-8-10-17(11-9-16)15-27-21-19-6-2-3-7-20(19)25(22(26)24-21)14-18-5-4-12-23-13-18/h4-5,8-13H,2-3,6-7,14-15H2,1H3