[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 4-ethoxybenzoate

Systemtic Name: [6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 4-ethoxybenzoate Openeye Name: [6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxo-pyran-3-yl] 4-ethoxybenzoate CAS Name: 4-ethoxybenzoic acid [6-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-4-oxo-3-pyranyl] ester IUPAC Name: [6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxopyran-3-yl] 4-ethoxybenzoate Traditional Name: 4-ethoxybenzoic acid [4-keto-6-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]pyran-3-yl] ester Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)OC2=COC(=CC2=O)CSC3=NN=CN3C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)OC2=COC(=CC2=O)CSC3=NN=CN3C

InChI

InChI=1S/C18H17N3O5S/c1-3-24-13-6-4-12(5-7-13)17(23)26-16-9-25-14(8-15(16)22)10-27-18-20-19-11-21(18)2/h4-9,11H,3,10H2,1-2H3