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

Systemtic Name: methyl 4-[[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]acetyl]amino]methyl]benzoic acid methyl ester Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCCCC2)SCC(=O)NCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=NN=C(N1C2CCCCC2)SCC(=O)NCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H26N4O3S/c1-14-22-23-20(24(14)17-6-4-3-5-7-17)28-13-18(25)21-12-15-8-10-16(11-9-15)19(26)27-2/h8-11,17H,3-7,12-13H2,1-2H3,(H,21,25)