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

Systemtic Name: 4-[(Z)-[5-sulfanylidene-3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate Openeye Name: 4-[(Z)-[3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate CAS Name: 4-[(Z)-[5-sulfanylidene-3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate IUPAC Name: 4-[(Z)-[5-sulfanylidene-3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate Traditional Name: 4-[(Z)-[3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate Formula: C16H13N6O2S- MolecularWeight: 353.37842

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)NN=C2C3=NNC(=S)N3N=CC4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H14N6O2S/c23-15(24)10-6-4-9(5-7-10)8-17-22-14(20-21-16(22)25)13-11-2-1-3-12(11)18-19-13/h4-8H,1-3H2,(H,18,19)(H,21,25)(H,23,24)/p-1/b17-8-