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

Systemtic Name: methyl 4-[[4-azanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[4-amino-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[4-amino-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[4-amino-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2N)SCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2N)SCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C16H16N4O3S/c1-10-13(7-8-23-10)14-18-19-16(20(14)17)24-9-11-3-5-12(6-4-11)15(21)22-2/h3-8H,9,17H2,1-2H3