(2-phenyl-3-propyl-pyridin-4-yl)methanethiol

Systemtic Name: (2-phenyl-3-propyl-pyridin-4-yl)methanethiol Openeye Name: (2-phenyl-3-propyl-4-pyridyl)methanethiol CAS Name: (2-phenyl-3-propyl-4-pyridinyl)methanethiol IUPAC Name: (2-phenyl-3-propylpyridin-4-yl)methanethiol Traditional Name: (2-phenyl-3-propyl-4-pyridyl)methanethiol Formula: C15H17NS MolecularWeight: 243.36718

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CN=C1C2=CC=CC=C2)CS

Isomeric SMILES

CCCC1=C(C=CN=C1C2=CC=CC=C2)CS

InChI

InChI=1S/C15H17NS/c1-2-6-14-13(11-17)9-10-16-15(14)12-7-4-3-5-8-12/h3-5,7-10,17H,2,6,11H2,1H3