ethyl 4-[[(3R)-3-methylsulfanyl-5-oxidanylidene-6-phenyl-2,4-dihydro-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[(3R)-3-methylsulfanyl-5-oxidanylidene-6-phenyl-2,4-dihydro-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[(3R)-3-methylsulfanyl-5-oxo-6-phenyl-2,4-dihydro-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[(3R)-3-(methylthio)-5-oxo-6-phenyl-2,4-dihydro-1,2,4-triazin-3-yl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(3R)-3-methylsulfanyl-5-oxo-6-phenyl-2,4-dihydro-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[(3R)-5-keto-3-(methylthio)-6-phenyl-2,4-dihydro-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C18H25N5O3S MolecularWeight: 391.4878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC2(NC(=O)C(=NN2)C3=CC=CC=C3)SC

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N[C@]2(NC(=O)C(=NN2)C3=CC=CC=C3)SC

InChI

InChI=1S/C18H25N5O3S/c1-3-26-17(25)23-11-9-14(10-12-23)19-18(27-2)20-16(24)15(21-22-18)13-7-5-4-6-8-13/h4-8,14,19,22H,3,9-12H2,1-2H3,(H,20,24)/t18-/m1/s1