methyl 1-[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]cyclohexanecarboxylate CAS Name: 1-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]cyclohexane-1-carboxylate Traditional Name: 1-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]acetyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C24H26N4O3S MolecularWeight: 450.55324

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1(CCCCC1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H26N4O3S/c1-31-22(30)24(15-9-4-10-16-24)25-20(29)17-32-23-27-26-21(18-11-5-2-6-12-18)28(23)19-13-7-3-8-14-19/h2-3,5-8,11-14H,4,9-10,15-17H2,1H3,(H,25,29)