2-[2-[(Z)-[5-sulfanylidene-3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-1H-1,2,4-triazol-4-yl]iminomethyl]phenoxy]ethanoate

Systemtic Name: 2-[2-[(Z)-[5-sulfanylidene-3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-1H-1,2,4-triazol-4-yl]iminomethyl]phenoxy]ethanoate Openeye Name: 2-[2-[(Z)-[3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]phenoxy]acetate CAS Name: 2-[2-[(Z)-[5-sulfanylidene-3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-1H-1,2,4-triazol-4-yl]iminomethyl]phenoxy]acetate IUPAC Name: 2-[2-[(Z)-[5-sulfanylidene-3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-1H-1,2,4-triazol-4-yl]iminomethyl]phenoxy]acetate Traditional Name: 2-[2-[(Z)-[3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]phenoxy]acetate Formula: C17H15N6O3S- MolecularWeight: 383.4044

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)NN=C2C3=NNC(=S)N3N=CC4=CC=CC=C4OCC(=O)[O-]

Isomeric SMILES

C1CC2=C(C1)NN=C2C3=NNC(=S)N3/N=C\C4=CC=CC=C4OCC(=O)[O-]

InChI

InChI=1S/C17H16N6O3S/c24-14(25)9-26-13-7-2-1-4-10(13)8-18-23-16(21-22-17(23)27)15-11-5-3-6-12(11)19-20-15/h1-2,4,7-8H,3,5-6,9H2,(H,19,20)(H,22,27)(H,24,25)/p-1/b18-8-