4-[(Z)-[3-(2-cyclohexylethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate

Systemtic Name: 4-[(Z)-[3-(2-cyclohexylethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate Openeye Name: 4-[(Z)-[3-(2-cyclohexylethyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate CAS Name: 4-[(Z)-[3-(2-cyclohexylethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate IUPAC Name: 4-[(Z)-[3-(2-cyclohexylethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate Traditional Name: 4-[(Z)-[3-(2-cyclohexylethyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate Formula: C18H21N4O2S- MolecularWeight: 357.44994

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC2=NNC(=S)N2N=CC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1CCC(CC1)CCC2=NNC(=S)N2/N=C\C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C18H22N4O2S/c23-17(24)15-9-6-14(7-10-15)12-19-22-16(20-21-18(22)25)11-8-13-4-2-1-3-5-13/h6-7,9-10,12-13H,1-5,8,11H2,(H,21,25)(H,23,24)/p-1/b19-12-