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

Systemtic Name: butyl 2-[(E)-(3-cyclohexyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate Openeye Name: butyl 2-[(E)-(3-cyclohexyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate CAS Name: 2-[(E)-(3-cyclohexyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid butyl ester IUPAC Name: butyl 2-[(E)-(3-cyclohexyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate Traditional Name: 2-[(E)-(3-cyclohexyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid butyl ester Formula: C20H26N4O2S MolecularWeight: 386.51104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=CC=C1C=NN2C(=NNC2=S)C3CCCCC3

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O2S/c1-2-3-13-26-19(25)17-12-8-7-11-16(17)14-21-24-18(22-23-20(24)27)15-9-5-4-6-10-15/h7-8,11-12,14-15H,2-6,9-10,13H2,1H3,(H,23,27)/b21-14+