1-imidazol-1-yl-5-phenyl-pentane-2-thiol

Systemtic Name: 1-imidazol-1-yl-5-phenyl-pentane-2-thiol Openeye Name: 1-imidazol-1-yl-5-phenyl-pentane-2-thiol CAS Name: 1-(1-imidazolyl)-5-phenyl-2-pentanethiol IUPAC Name: 1-imidazol-1-yl-5-phenylpentane-2-thiol Traditional Name: 1-imidazol-1-yl-5-phenyl-pentane-2-thiol Formula: C14H18N2S MolecularWeight: 246.37112

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC(CN2C=CN=C2)S

Isomeric SMILES

C1=CC=C(C=C1)CCCC(CN2C=CN=C2)S

InChI

InChI=1S/C14H18N2S/c17-14(11-16-10-9-15-12-16)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-10,12,14,17H,4,7-8,11H2