diethyl 3-methylsulfanyl-3-phenylazanyl-1,2,4-triazolidine-1,2-dicarboxylate

Systemtic Name: diethyl 3-methylsulfanyl-3-phenylazanyl-1,2,4-triazolidine-1,2-dicarboxylate Openeye Name: diethyl 3-anilino-3-methylsulfanyl-1,2,4-triazolidine-1,2-dicarboxylate CAS Name: 3-anilino-3-(methylthio)-1,2,4-triazolidine-1,2-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-anilino-3-methylsulfanyl-1,2,4-triazolidine-1,2-dicarboxylate Traditional Name: 3-anilino-3-(methylthio)-1,2,4-triazolidine-1,2-dicarboxylic acid diethyl ester Formula: C15H22N4O4S MolecularWeight: 354.42458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CNC(N1C(=O)OCC)(NC2=CC=CC=C2)SC

Isomeric SMILES

CCOC(=O)N1CNC(N1C(=O)OCC)(NC2=CC=CC=C2)SC

InChI

InChI=1S/C15H22N4O4S/c1-4-22-13(20)18-11-16-15(24-3,19(18)14(21)23-5-2)17-12-9-7-6-8-10-12/h6-10,16-17H,4-5,11H2,1-3H3