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

Systemtic Name: ethyl 4-methyl-3-[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]methyl]benzoate Openeye Name: ethyl 4-methyl-3-[[[2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]methyl]benzoate CAS Name: 4-methyl-3-[[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-methyl-3-[[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]methyl]benzoate Traditional Name: 4-methyl-3-[[[2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]methyl]benzoic acid ethyl ester Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)C)CNC(=O)CSC2=NN=C(N2C)C3=CC=NC=C3

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)C)CNC(=O)CSC2=NN=C(N2C)C3=CC=NC=C3

InChI

InChI=1S/C21H23N5O3S/c1-4-29-20(28)16-6-5-14(2)17(11-16)12-23-18(27)13-30-21-25-24-19(26(21)3)15-7-9-22-10-8-15/h5-11H,4,12-13H2,1-3H3,(H,23,27)