ethyl 3-[2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: ethyl 3-[2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 3-[[2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4CCCCC4

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4CCCCC4

InChI

InChI=1S/C25H28N4O3S/c1-2-32-24(31)19-12-9-13-20(16-19)26-22(30)17-33-25-28-27-23(18-10-5-3-6-11-18)29(25)21-14-7-4-8-15-21/h4,7-9,12-16,18H,2-3,5-6,10-11,17H2,1H3,(H,26,30)