[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl] 2-methylbenzoate

Systemtic Name: [4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl] 2-methylbenzoate Openeye Name: [4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl] ester IUPAC Name: [4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl] ester Formula: C20H18N2O2S MolecularWeight: 350.43412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)SC3=NC(=CC(=N3)C)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)SC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C20H18N2O2S/c1-13-6-4-5-7-18(13)19(23)24-16-8-10-17(11-9-16)25-20-21-14(2)12-15(3)22-20/h4-12H,1-3H3