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

Systemtic Name: 4-[(3-methylphenyl)methylsulfanyl]-1-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one Openeye Name: 4-(m-tolylmethylsulfanyl)-1-(4-pyridylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one CAS Name: 4-[(3-methylphenyl)methylthio]-1-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one IUPAC Name: 4-[(3-methylphenyl)methylsulfanyl]-1-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one Traditional Name: 4-[(3-methylbenzyl)thio]-1-(4-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=C1)CSC2=NC(=O)N(C3=C2CCCC3)CC4=CC=NC=C4

Isomeric SMILES

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

InChI

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