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

Systemtic Name: propan-2-yl 4-[(4-azanyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Openeye Name: isopropyl 4-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[4-amino-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[[4-amino-5-(3-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=CN=CC=C3

Isomeric SMILES

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

InChI

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