ethyl 2-[2-[[5-[[2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]methyl]-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: ethyl 2-[2-[[5-[[2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]methyl]-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 2-[[2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 2-[[2-[[5-[(2,4-diketo-1H-pyrimidin-6-yl)methyl]-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C25H24N6O6S MolecularWeight: 536.55966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2C3=CC(=CC=C3)OC)CC4=CC(=O)NC(=O)N4

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2C3=CC(=CC=C3)OC)CC4=CC(=O)NC(=O)N4

InChI

InChI=1S/C25H24N6O6S/c1-3-37-23(34)18-9-4-5-10-19(18)27-22(33)14-38-25-30-29-20(11-15-12-21(32)28-24(35)26-15)31(25)16-7-6-8-17(13-16)36-2/h4-10,12-13H,3,11,14H2,1-2H3,(H,27,33)(H2,26,28,32,35)