ethyl 2-methylsulfanyl-4-[(2E)-2-(phenylmethylidene)hydrazinyl]pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-methylsulfanyl-4-[(2E)-2-(phenylmethylidene)hydrazinyl]pyrimidine-5-carboxylate Openeye Name: ethyl 4-[(2E)-2-benzylidenehydrazino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 2-(methylthio)-4-[(2E)-2-(phenylmethylene)hydrazinyl]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2E)-2-benzylidenehydrazinyl]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[(N'E)-N'-benzalhydrazino]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C15H16N4O2S MolecularWeight: 316.37814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NN=CC2=CC=CC=C2)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N/N=C/C2=CC=CC=C2)SC

InChI

InChI=1S/C15H16N4O2S/c1-3-21-14(20)12-10-16-15(22-2)18-13(12)19-17-9-11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H,16,18,19)/b17-9+