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

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

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CC=CC=N3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CC=CC=N3

InChI

InChI=1S/C17H16N6O3S/c1-26-16(25)11-5-7-12(8-6-11)20-14(24)10-27-17-22-21-15(23(17)18)13-4-2-3-9-19-13/h2-9H,10,18H2,1H3,(H,20,24)