2-[[2-(3-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[2-(3-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]ethanoate Openeye Name: 2-[[2-(m-tolyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetate CAS Name: 2-[[2-(3-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]thio]acetate IUPAC Name: 2-[[2-(3-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetate Traditional Name: 2-[[2-(m-tolyl)-5,6,7,8-tetrahydroquinazolin-4-yl]thio]acetate Formula: C17H17N2O2S- MolecularWeight: 313.39408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC3=C(CCCC3)C(=N2)SCC(=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC3=C(CCCC3)C(=N2)SCC(=O)[O-]

InChI

InChI=1S/C17H18N2O2S/c1-11-5-4-6-12(9-11)16-18-14-8-3-2-7-13(14)17(19-16)22-10-15(20)21/h4-6,9H,2-3,7-8,10H2,1H3,(H,20,21)/p-1