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

Systemtic Name: methyl 5-[[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)methyl]furan-2-carboxylate CAS Name: 5-[[3-amino-5-(phenylmethylthio)-1,2,4-triazol-4-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)methyl]furan-2-carboxylate Traditional Name: 5-[[3-amino-5-(benzylthio)-1,2,4-triazol-4-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2C(=NN=C2SCC3=CC=CC=C3)N

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2C(=NN=C2SCC3=CC=CC=C3)N

InChI

InChI=1S/C16H16N4O3S/c1-22-14(21)13-8-7-12(23-13)9-20-15(17)18-19-16(20)24-10-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3,(H2,17,18)