methyl (3aR,7aR)-7-methyl-3-phenyl-2-sulfanylidene-1,3a,4,7a-tetrahydroimidazo[4,5-b]pyrazine-5-carboxylate

Systemtic Name: methyl (3aR,7aR)-7-methyl-3-phenyl-2-sulfanylidene-1,3a,4,7a-tetrahydroimidazo[4,5-b]pyrazine-5-carboxylate Openeye Name: methyl (3aR,7aR)-7-methyl-3-phenyl-2-thioxo-1,3a,4,7a-tetrahydroimidazo[4,5-b]pyrazine-5-carboxylate CAS Name: (3aR,7aR)-7-methyl-3-phenyl-2-sulfanylidene-1,3a,4,7a-tetrahydroimidazo[4,5-b]pyrazine-5-carboxylic acid methyl ester IUPAC Name: methyl (3aR,7aR)-7-methyl-3-phenyl-2-sulfanylidene-1,3a,4,7a-tetrahydroimidazo[4,5-b]pyrazine-5-carboxylate Traditional Name: (3aR,7aR)-7-methyl-3-phenyl-2-thioxo-1,3a,4,7a-tetrahydroimidazo[4,5-b]pyrazine-5-carboxylic acid methyl ester Formula: C14H16N4O2S MolecularWeight: 304.36744

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(NC2C1NC(=S)N2C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CN1C=C(N[C@H]2[C@@H]1NC(=S)N2C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C14H16N4O2S/c1-17-8-10(13(19)20-2)15-12-11(17)16-14(21)18(12)9-6-4-3-5-7-9/h3-8,11-12,15H,1-2H3,(H,16,21)/t11-,12-/m1/s1