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

Systemtic Name: propan-2-yl 4-[(4-azanyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C18H19N5O2S MolecularWeight: 369.44076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5O2S/c1-12(2)25-17(24)15-5-3-13(4-6-15)11-26-18-22-21-16(23(18)19)14-7-9-20-10-8-14/h3-10,12H,11,19H2,1-2H3