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

Systemtic Name: 4-[(2-methylphenyl)methylsulfanyl]-1-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one Openeye Name: 4-(o-tolylmethylsulfanyl)-1-(2-pyridylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one CAS Name: 4-[(2-methylphenyl)methylthio]-1-(2-pyridinylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one IUPAC Name: 4-[(2-methylphenyl)methylsulfanyl]-1-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one Traditional Name: 4-[(2-methylbenzyl)thio]-1-(2-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=CC=C1CSC2=NC(=O)N(C3=C2CCCC3)CC4=CC=CC=N4

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC(=O)N(C3=C2CCCC3)CC4=CC=CC=N4

InChI

InChI=1S/C22H23N3OS/c1-16-8-2-3-9-17(16)15-27-21-19-11-4-5-12-20(19)25(22(26)24-21)14-18-10-6-7-13-23-18/h2-3,6-10,13H,4-5,11-12,14-15H2,1H3