4-phenacylsulfanyl-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one

Systemtic Name: 4-phenacylsulfanyl-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one Openeye Name: 4-phenacylsulfanyl-1-(3-pyridylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one CAS Name: 4-(phenacylthio)-1-(3-pyridinylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one IUPAC Name: 4-phenacylsulfanyl-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one Traditional Name: 4-(phenacylthio)-1-(3-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=CN=CC=C3)SCC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C(=NC(=O)N2CC3=CN=CC=C3)SCC(=O)C4=CC=CC=C4

InChI

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