methyl 3-[[(1S)-2-oxidanylidene-3-(phenylmethylidene)cyclohexyl]methylideneamino]-1H-1,2,4-triazole-5-carboxylate

Systemtic Name: methyl 3-[[(1S)-2-oxidanylidene-3-(phenylmethylidene)cyclohexyl]methylideneamino]-1H-1,2,4-triazole-5-carboxylate Openeye Name: methyl 3-[[(1S)-3-benzylidene-2-oxo-cyclohexyl]methyleneamino]-1H-1,2,4-triazole-5-carboxylate CAS Name: 3-[[(1S)-2-oxo-3-(phenylmethylene)cyclohexyl]methylideneamino]-1H-1,2,4-triazole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-[[(1S)-3-benzylidene-2-oxocyclohexyl]methylideneamino]-1H-1,2,4-triazole-5-carboxylate Traditional Name: 3-[[(1S)-3-benzal-2-keto-cyclohexyl]methyleneamino]-1H-1,2,4-triazole-5-carboxylic acid methyl ester Formula: C18H18N4O3 MolecularWeight: 338.36052

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC(=NN1)N=CC2CCCC(=CC3=CC=CC=C3)C2=O

Isomeric SMILES

COC(=O)C1=NC(=NN1)N=C[C@@H]2CCCC(=CC3=CC=CC=C3)C2=O

InChI

InChI=1S/C18H18N4O3/c1-25-17(24)16-20-18(22-21-16)19-11-14-9-5-8-13(15(14)23)10-12-6-3-2-4-7-12/h2-4,6-7,10-11,14H,5,8-9H2,1H3,(H,20,21,22)/t14-/m0/s1