5-ethyl-1-[(4-methylphenyl)methoxymethyl]-6-phenylsulfanyl-2-sulfanylidene-pyrimidin-4-one

Systemtic Name: 5-ethyl-1-[(4-methylphenyl)methoxymethyl]-6-phenylsulfanyl-2-sulfanylidene-pyrimidin-4-one Openeye Name: 5-ethyl-6-phenylsulfanyl-1-(p-tolylmethoxymethyl)-2-thioxo-pyrimidin-4-one CAS Name: 5-ethyl-1-[(4-methylphenyl)methoxymethyl]-6-(phenylthio)-2-sulfanylidene-4-pyrimidinone IUPAC Name: 5-ethyl-1-[(4-methylphenyl)methoxymethyl]-6-phenylsulfanyl-2-sulfanylidenepyrimidin-4-one Traditional Name: 5-ethyl-1-[(4-methylbenzyl)oxymethyl]-6-(phenylthio)-2-thioxo-pyrimidin-4-one Formula: C21H22N2O2S2 MolecularWeight: 398.54158

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=S)NC1=O)COCC2=CC=C(C=C2)C)SC3=CC=CC=C3

Isomeric SMILES

CCC1=C(N(C(=S)NC1=O)COCC2=CC=C(C=C2)C)SC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O2S2/c1-3-18-19(24)22-21(26)23(20(18)27-17-7-5-4-6-8-17)14-25-13-16-11-9-15(2)10-12-16/h4-12H,3,13-14H2,1-2H3,(H,22,24,26)