ethyl 8-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate

Systemtic Name: ethyl 8-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate Openeye Name: ethyl 8-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate CAS Name: 8-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-4H-1,3-benzodioxin-6-carboxylic acid ethyl ester IUPAC Name: ethyl 8-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate Traditional Name: 8-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-4H-1,3-benzodioxin-6-carboxylic acid ethyl ester Formula: C14H16N4O4S MolecularWeight: 336.36624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C(=C1)CSC3=NNC(=N3)N)OCOC2

Isomeric SMILES

CCOC(=O)C1=CC2=C(C(=C1)CSC3=NNC(=N3)N)OCOC2

InChI

InChI=1S/C14H16N4O4S/c1-2-21-12(19)8-3-9-5-20-7-22-11(9)10(4-8)6-23-14-16-13(15)17-18-14/h3-4H,2,5-7H2,1H3,(H3,15,16,17,18)