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

Systemtic Name: 2-[[5-cyclohexyl-4-[(Z)-pyridin-3-ylmethylideneamino]-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-cyclohexyl-4-[(Z)-3-pyridylmethyleneamino]-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-cyclohexyl-4-[(Z)-3-pyridinylmethylideneamino]-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-cyclohexyl-4-[(Z)-pyridin-3-ylmethylideneamino]-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-cyclohexyl-4-[(Z)-3-pyridylmethyleneamino]-1,2,4-triazol-3-yl]thio]acetic acid Formula: C16H19N5O2S MolecularWeight: 345.41936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN=C(N2N=CC3=CN=CC=C3)SCC(=O)O

Isomeric SMILES

C1CCC(CC1)C2=NN=C(N2/N=C\C3=CN=CC=C3)SCC(=O)O

InChI

InChI=1S/C16H19N5O2S/c22-14(23)11-24-16-20-19-15(13-6-2-1-3-7-13)21(16)18-10-12-5-4-8-17-9-12/h4-5,8-10,13H,1-3,6-7,11H2,(H,22,23)/b18-10-