[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 3,5-dimethylbenzoate

Systemtic Name: [6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 3,5-dimethylbenzoate Openeye Name: [6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxo-pyran-3-yl] 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic 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] 3,5-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic acid [4-keto-6-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]pyran-3-yl] ester Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)OC2=COC(=CC2=O)CSC3=NN=CN3C)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)OC2=COC(=CC2=O)CSC3=NN=CN3C)C

InChI

InChI=1S/C18H17N3O4S/c1-11-4-12(2)6-13(5-11)17(23)25-16-8-24-14(7-15(16)22)9-26-18-20-19-10-21(18)3/h4-8,10H,9H2,1-3H3