2-[[5-cyclohexyl-4-[(2-ethyl-1-benzofuran-3-yl)methylideneamino]-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[5-cyclohexyl-4-[(2-ethyl-1-benzofuran-3-yl)methylideneamino]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-cyclohexyl-4-[(2-ethylbenzofuran-3-yl)methyleneamino]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-cyclohexyl-4-[(2-ethyl-3-benzofuranyl)methylideneamino]-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-cyclohexyl-4-[(2-ethyl-1-benzofuran-3-yl)methylideneamino]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-cyclohexyl-4-[(2-ethylbenzofuran-3-yl)methyleneamino]-1,2,4-triazol-3-yl]thio]acetate Formula: C21H23N4O3S- MolecularWeight: 411.49732

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=C2O1)C=NN3C(=NN=C3SCC(=O)[O-])C4CCCCC4

Isomeric SMILES

CCC1=C(C2=CC=CC=C2O1)C=NN3C(=NN=C3SCC(=O)[O-])C4CCCCC4

InChI

InChI=1S/C21H24N4O3S/c1-2-17-16(15-10-6-7-11-18(15)28-17)12-22-25-20(14-8-4-3-5-9-14)23-24-21(25)29-13-19(26)27/h6-7,10-12,14H,2-5,8-9,13H2,1H3,(H,26,27)/p-1