2-[2-[(Z)-(3-cyclohexyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]ethanoate

Systemtic Name: 2-[2-[(Z)-(3-cyclohexyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]ethanoate Openeye Name: 2-[2-[(Z)-(3-cyclohexyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]acetate CAS Name: 2-[2-[(Z)-(3-cyclohexyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]acetate IUPAC Name: 2-[2-[(Z)-(3-cyclohexyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]acetate Traditional Name: 2-[2-[(Z)-(3-cyclohexyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]acetate Formula: C17H19N4O3S- MolecularWeight: 359.42276

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NNC(=S)N2N=CC3=CC=CC=C3OCC(=O)[O-]

Isomeric SMILES

C1CCC(CC1)C2=NNC(=S)N2/N=C\C3=CC=CC=C3OCC(=O)[O-]

InChI

InChI=1S/C17H20N4O3S/c22-15(23)11-24-14-9-5-4-8-13(14)10-18-21-16(19-20-17(21)25)12-6-2-1-3-7-12/h4-5,8-10,12H,1-3,6-7,11H2,(H,20,25)(H,22,23)/p-1/b18-10-