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

Systemtic Name: methyl 5-[(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)methyl]furan-2-carboxylate Openeye Name: methyl 5-[(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)methyl]furan-2-carboxylate CAS Name: 5-[[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)methyl]furan-2-carboxylate Traditional Name: 5-[[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2C(=NN=C2SCCC3=CC=CC=C3)N

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2C(=NN=C2SCCC3=CC=CC=C3)N

InChI

InChI=1S/C17H18N4O3S/c1-23-15(22)14-8-7-13(24-14)11-21-16(18)19-20-17(21)25-10-9-12-5-3-2-4-6-12/h2-8H,9-11H2,1H3,(H2,18,19)