ethyl 4-[(4-azanyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate

Systemtic Name: ethyl 4-[(4-azanyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Openeye Name: ethyl 4-[[4-amino-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[(4-amino-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-amino-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[[4-amino-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid ethyl ester Formula: C17H17N5O2S MolecularWeight: 355.41418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N5O2S/c1-2-24-16(23)14-5-3-12(4-6-14)11-25-17-21-20-15(22(17)18)13-7-9-19-10-8-13/h3-10H,2,11,18H2,1H3