2-[[5-cyclohexyl-4-[(Z)-pyridin-4-ylmethylideneamino]-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[5-cyclohexyl-4-[(Z)-pyridin-4-ylmethylideneamino]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-cyclohexyl-4-[(Z)-4-pyridylmethyleneamino]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-cyclohexyl-4-[(Z)-pyridin-4-ylmethylideneamino]-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-cyclohexyl-4-[(Z)-pyridin-4-ylmethylideneamino]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-cyclohexyl-4-[(Z)-4-pyridylmethyleneamino]-1,2,4-triazol-3-yl]thio]acetate Formula: C16H18N5O2S- MolecularWeight: 344.41142

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN=C(N2N=CC3=CC=NC=C3)SCC(=O)[O-]

Isomeric SMILES

C1CCC(CC1)C2=NN=C(N2/N=C\C3=CC=NC=C3)SCC(=O)[O-]

InChI

InChI=1S/C16H19N5O2S/c22-14(23)11-24-16-20-19-15(13-4-2-1-3-5-13)21(16)18-10-12-6-8-17-9-7-12/h6-10,13H,1-5,11H2,(H,22,23)/p-1/b18-10-