ethyl (3S)-1-(6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-yl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-(6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-yl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(6-methyl-3-thioxo-2H-1,2,4-triazin-5-yl)piperidine-3-carboxylate CAS Name: (3S)-1-(6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-yl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-yl)piperidine-3-carboxylate Traditional Name: (3S)-1-(6-methyl-3-thioxo-2H-1,2,4-triazin-5-yl)nipecotic acid ethyl ester Formula: C12H18N4O2S MolecularWeight: 282.36192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=NC(=S)NN=C2C

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C2=NC(=S)NN=C2C

InChI

InChI=1S/C12H18N4O2S/c1-3-18-11(17)9-5-4-6-16(7-9)10-8(2)14-15-12(19)13-10/h9H,3-7H2,1-2H3,(H,13,15,19)/t9-/m0/s1