ethyl 2-[bis(phenylsulfanyl)methyl]pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-[bis(phenylsulfanyl)methyl]pyrimidine-5-carboxylate Openeye Name: ethyl 2-[bis(phenylsulfanyl)methyl]pyrimidine-5-carboxylate CAS Name: 2-[bis(phenylthio)methyl]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[bis(phenylsulfanyl)methyl]pyrimidine-5-carboxylate Traditional Name: 2-[bis(phenylthio)methyl]pyrimidine-5-carboxylic acid ethyl ester Formula: C20H18N2O2S2 MolecularWeight: 382.49912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1)C(SC2=CC=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1)C(SC2=CC=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C20H18N2O2S2/c1-2-24-19(23)15-13-21-18(22-14-15)20(25-16-9-5-3-6-10-16)26-17-11-7-4-8-12-17/h3-14,20H,2H2,1H3