methyl 4-[2-[[5-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[[5-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[[5-[5-(2-furyl)-1H-pyrazol-3-yl]-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[5-[5-(2-furanyl)-1H-pyrazol-3-yl]-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[[5-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[[5-[5-(2-furyl)-1H-pyrazol-3-yl]-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C26H22N6O5S MolecularWeight: 530.55508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)OC)C4=NNC(=C4)C5=CC=CO5

Isomeric SMILES

COC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)OC)C4=NNC(=C4)C5=CC=CO5

InChI

InChI=1S/C26H22N6O5S/c1-35-22-7-4-3-6-20(22)32-24(19-14-18(28-29-19)21-8-5-13-37-21)30-31-26(32)38-15-23(33)27-17-11-9-16(10-12-17)25(34)36-2/h3-14H,15H2,1-2H3,(H,27,33)(H,28,29)