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

Systemtic Name: methyl 4-[2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[4-methyl-5-(2-pyrazinyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C17H16N6O3S MolecularWeight: 384.41234

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OC)C3=NC=CN=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OC)C3=NC=CN=C3

InChI

InChI=1S/C17H16N6O3S/c1-23-15(13-9-18-7-8-19-13)21-22-17(23)27-10-14(24)20-12-5-3-11(4-6-12)16(25)26-2/h3-9H,10H2,1-2H3,(H,20,24)