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

Systemtic Name: methyl 4-[2-[[4-azanyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[[4-amino-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[4-amino-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[[4-amino-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[[4-amino-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C21H23N5O6S MolecularWeight: 473.50222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NN=C(N2N)SCC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NN=C(N2N)SCC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H23N5O6S/c1-29-15-9-13(10-16(30-2)18(15)31-3)19-24-25-21(26(19)22)33-11-17(27)23-14-7-5-12(6-8-14)20(28)32-4/h5-10H,11,22H2,1-4H3,(H,23,27)