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

Systemtic Name: propan-2-yl 4-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: isopropyl 4-[[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid isopropyl ester Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3CC3)C4CC4

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3CC3)C4CC4

InChI

InChI=1S/C20H24N4O3S/c1-12(2)27-19(26)14-5-7-15(8-6-14)21-17(25)11-28-20-23-22-18(13-3-4-13)24(20)16-9-10-16/h5-8,12-13,16H,3-4,9-11H2,1-2H3,(H,21,25)