3-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanylmethyl]benzoic acid

Systemtic Name: 3-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanylmethyl]benzoic acid Openeye Name: 3-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanylmethyl]benzoic acid CAS Name: 3-[[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)thio]methyl]benzoic acid IUPAC Name: 3-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanylmethyl]benzoic acid Traditional Name: 3-[[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)thio]methyl]benzoic acid Formula: C17H18N2O2S MolecularWeight: 314.40202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1CCCC2)SCC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC1=NC(=NC2=C1CCCC2)SCC3=CC=CC(=C3)C(=O)O

InChI

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