[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 5-methyl-2-phenyl-triazole-4-carboxylate CAS Name: 5-methyl-2-phenyl-4-triazolecarboxylic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 5-methyl-2-phenyltriazole-4-carboxylate Traditional Name: 5-methyl-2-phenyl-triazole-4-carboxylic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C16H15N5O3 MolecularWeight: 325.322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)OCC(=O)C(C#N)C(=N)C)C2=CC=CC=C2

Isomeric SMILES

CC1=NN(N=C1C(=O)OCC(=O)[C@H](C#N)C(=N)C)C2=CC=CC=C2

InChI

InChI=1S/C16H15N5O3/c1-10(18)13(8-17)14(22)9-24-16(23)15-11(2)19-21(20-15)12-6-4-3-5-7-12/h3-7,13,18H,9H2,1-2H3/t13-/m1/s1