2-[(4-but-2-ynoxyphenyl)methyl-methyl-amino]propane-1-thiol

Systemtic Name: 2-[(4-but-2-ynoxyphenyl)methyl-methyl-amino]propane-1-thiol Openeye Name: 2-[(4-but-2-ynoxyphenyl)methyl-methyl-amino]propane-1-thiol CAS Name: 2-[(4-but-2-ynoxyphenyl)methyl-methylamino]-1-propanethiol IUPAC Name: 2-[(4-but-2-ynoxyphenyl)methyl-methylamino]propane-1-thiol Traditional Name: 2-[(4-but-2-ynoxybenzyl)-methyl-amino]propane-1-thiol Formula: C15H21NOS MolecularWeight: 263.39834

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)CN(C)C(C)CS

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)CN(C)C(C)CS

InChI

InChI=1S/C15H21NOS/c1-4-5-10-17-15-8-6-14(7-9-15)11-16(3)13(2)12-18/h6-9,13,18H,10-12H2,1-3H3