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

Systemtic Name: propan-2-yl 4-[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: isopropyl 4-[[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid isopropyl ester Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCCCC2)SCC(=O)NC3=CC=C(C=C3)C(=O)OC(C)C

Isomeric SMILES

CC1=NN=C(N1C2CCCCC2)SCC(=O)NC3=CC=C(C=C3)C(=O)OC(C)C

InChI

InChI=1S/C21H28N4O3S/c1-14(2)28-20(27)16-9-11-17(12-10-16)22-19(26)13-29-21-24-23-15(3)25(21)18-7-5-4-6-8-18/h9-12,14,18H,4-8,13H2,1-3H3,(H,22,26)