methyl 4-[(E)-(3-cyclohexyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate

Systemtic Name: methyl 4-[(E)-(3-cyclohexyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate Openeye Name: methyl 4-[(E)-(3-cyclohexyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate CAS Name: 4-[(E)-(3-cyclohexyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-(3-cyclohexyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate Traditional Name: 4-[(E)-(3-cyclohexyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid methyl ester Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=NN2C(=NNC2=S)C3CCCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=N/N2C(=NNC2=S)C3CCCCC3

InChI

InChI=1S/C17H20N4O2S/c1-23-16(22)14-9-7-12(8-10-14)11-18-21-15(19-20-17(21)24)13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H,20,24)/b18-11+