propan-2-yl 4-chloranyl-3-[2-[[5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: propan-2-yl 4-chloranyl-3-[2-[[5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: isopropyl 4-chloro-3-[[2-[[5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-chloro-3-[[2-[[5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-chloro-3-[[2-[[5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 4-chloro-3-[[2-[[5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid isopropyl ester Formula: C29H29ClN4O4S MolecularWeight: 565.08296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=C(C=CC(=C4)C(=O)OC(C)C)Cl

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=C(C=CC(=C4)C(=O)OC(C)C)Cl

InChI

InChI=1S/C29H29ClN4O4S/c1-18(2)38-28(36)21-13-14-23(30)24(15-21)31-26(35)17-39-29-33-32-25(34(29)22-11-6-5-7-12-22)16-37-27-19(3)9-8-10-20(27)4/h5-15,18H,16-17H2,1-4H3,(H,31,35)