ethyl 5-[(5-phenylazanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate

Systemtic Name: ethyl 5-[(5-phenylazanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: ethyl 5-[(5-anilino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[(5-anilino-1H-1,2,4-triazol-3-yl)thio]methyl]-2-furancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(5-anilino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(5-anilino-1H-1,2,4-triazol-3-yl)thio]methyl]furan-2-carboxylic acid ethyl ester Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(O1)CSC2=NNC(=N2)NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(O1)CSC2=NNC(=N2)NC3=CC=CC=C3

InChI

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