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

Systemtic Name: 3-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanylmethyl]benzoate Openeye Name: 3-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanylmethyl]benzoate CAS Name: 3-[[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)thio]methyl]benzoate IUPAC Name: 3-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanylmethyl]benzoate Traditional Name: 3-[[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)thio]methyl]benzoate Formula: C17H17N2O2S- MolecularWeight: 313.39408

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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)/p-1