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

Systemtic Name: methyl 3-[[4-azanyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[4-amino-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[4-amino-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[[4-amino-5-(2-furyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester Formula: C15H14N4O3S MolecularWeight: 330.36166

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CSC2=NN=C(N2N)C3=CC=CO3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CSC2=NN=C(N2N)C3=CC=CO3

InChI

InChI=1S/C15H14N4O3S/c1-21-14(20)11-5-2-4-10(8-11)9-23-15-18-17-13(19(15)16)12-6-3-7-22-12/h2-8H,9,16H2,1H3