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

Systemtic Name: 2-[4-[(Z)-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]ethanoate Openeye Name: 2-[4-[(Z)-(3-cyclopropyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]acetate CAS Name: 2-[4-[(Z)-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]acetate IUPAC Name: 2-[4-[(Z)-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]acetate Traditional Name: 2-[4-[(Z)-(3-cyclopropyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]acetate Formula: C14H13N4O3S- MolecularWeight: 317.34302

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NNC(=S)N2N=CC3=CC=C(C=C3)OCC(=O)[O-]

Isomeric SMILES

C1CC1C2=NNC(=S)N2/N=C\C3=CC=C(C=C3)OCC(=O)[O-]

InChI

InChI=1S/C14H14N4O3S/c19-12(20)8-21-11-5-1-9(2-6-11)7-15-18-13(10-3-4-10)16-17-14(18)22/h1-2,5-7,10H,3-4,8H2,(H,17,22)(H,19,20)/p-1/b15-7-