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

Systemtic Name: [6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 4-propan-2-yloxybenzoate Openeye Name: [6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxo-pyran-3-yl] 4-isopropoxybenzoate CAS Name: 4-propan-2-yloxybenzoic 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-propan-2-yloxybenzoate Traditional Name: 4-isopropoxybenzoic acid [4-keto-6-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]pyran-3-yl] ester Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)OC2=COC(=CC2=O)CSC3=NN=CN3C

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)OC2=COC(=CC2=O)CSC3=NN=CN3C

InChI

InChI=1S/C19H19N3O5S/c1-12(2)26-14-6-4-13(5-7-14)18(24)27-17-9-25-15(8-16(17)23)10-28-19-21-20-11-22(19)3/h4-9,11-12H,10H2,1-3H3