2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-5,6,7,8-tetrahydroquinazolin-4-olate

Systemtic Name: 2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-5,6,7,8-tetrahydroquinazolin-4-olate Openeye Name: 2-[[5-methyl-2-(o-tolyl)oxazol-4-yl]methylsulfanyl]-5,6,7,8-tetrahydroquinazolin-4-olate CAS Name: 2-[[5-methyl-2-(2-methylphenyl)-4-oxazolyl]methylthio]-5,6,7,8-tetrahydroquinazolin-4-olate IUPAC Name: 2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-5,6,7,8-tetrahydroquinazolin-4-olate Traditional Name: 2-[[5-methyl-2-(o-tolyl)oxazol-4-yl]methylthio]-5,6,7,8-tetrahydroquinazolin-4-olate Formula: C20H20N3O2S- MolecularWeight: 366.4567

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC(=C(O2)C)CSC3=NC4=C(CCCC4)C(=N3)[O-]

Isomeric SMILES

CC1=CC=CC=C1C2=NC(=C(O2)C)CSC3=NC4=C(CCCC4)C(=N3)[O-]

InChI

InChI=1S/C20H21N3O2S/c1-12-7-3-4-8-14(12)19-21-17(13(2)25-19)11-26-20-22-16-10-6-5-9-15(16)18(24)23-20/h3-4,7-8H,5-6,9-11H2,1-2H3,(H,22,23,24)/p-1