sodium 6-methyl-2-phenyl-5-(phenylmethyl)pyrimidine-4-thiolate

Systemtic Name: sodium 6-methyl-2-phenyl-5-(phenylmethyl)pyrimidine-4-thiolate Openeye Name: sodium 5-benzyl-6-methyl-2-phenyl-pyrimidine-4-thiolate CAS Name: sodium 6-methyl-2-phenyl-5-(phenylmethyl)-4-pyrimidinethiolate IUPAC Name: sodium 5-benzyl-6-methyl-2-phenylpyrimidine-4-thiolate Traditional Name: sodium 5-benzyl-6-methyl-2-phenyl-pyrimidine-4-thiolate Formula: C18H15N2NaS MolecularWeight: 314.37987

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)[S-])CC3=CC=CC=C3.[Na+]

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)[S-])CC3=CC=CC=C3.[Na+]

InChI

InChI=1S/C18H16N2S.Na/c1-13-16(12-14-8-4-2-5-9-14)18(21)20-17(19-13)15-10-6-3-7-11-15;/h2-11H,12H2,1H3,(H,19,20,21);/q;+1/p-1