4-phenacylsulfanyl-1-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one

Systemtic Name: 4-phenacylsulfanyl-1-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one Openeye Name: 4-phenacylsulfanyl-1-(2-pyridylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one CAS Name: 4-(phenacylthio)-1-(2-pyridinylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one IUPAC Name: 4-phenacylsulfanyl-1-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one Traditional Name: 4-(phenacylthio)-1-(2-pyridylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=NC(=O)N2CC3=CC=CC=N3)SCC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C(=NC(=O)N2CC3=CC=CC=N3)SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H21N3O2S/c26-20(16-8-2-1-3-9-16)15-28-21-18-11-4-5-12-19(18)25(22(27)24-21)14-17-10-6-7-13-23-17/h1-3,6-10,13H,4-5,11-12,14-15H2