4-[4-(2,3-dimethylphenoxy)but-2-ynoxy]-6-methyl-pyran-2-thione

Systemtic Name: 4-[4-(2,3-dimethylphenoxy)but-2-ynoxy]-6-methyl-pyran-2-thione Openeye Name: 4-[4-(2,3-dimethylphenoxy)but-2-ynoxy]-6-methyl-pyran-2-thione CAS Name: 4-[4-(2,3-dimethylphenoxy)but-2-ynoxy]-6-methyl-2-pyranthione IUPAC Name: 4-[4-(2,3-dimethylphenoxy)but-2-ynoxy]-6-methylpyran-2-thione Traditional Name: 4-[4-(2,3-dimethylphenoxy)but-2-ynoxy]-6-methyl-pyran-2-thione Formula: C18H18O3S MolecularWeight: 314.39872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCC#CCOC2=CC(=S)OC(=C2)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)OCC#CCOC2=CC(=S)OC(=C2)C)C

InChI

InChI=1S/C18H18O3S/c1-13-7-6-8-17(15(13)3)20-10-5-4-9-19-16-11-14(2)21-18(22)12-16/h6-8,11-12H,9-10H2,1-3H3