1-[(E)-2-octylsulfanyl-4-phenyl-but-3-enyl]imidazole

Systemtic Name: 1-[(E)-2-octylsulfanyl-4-phenyl-but-3-enyl]imidazole Openeye Name: 1-[(E)-2-octylsulfanyl-4-phenyl-but-3-enyl]imidazole CAS Name: 1-[(E)-2-(octylthio)-4-phenylbut-3-enyl]imidazole IUPAC Name: 1-[(E)-2-octylsulfanyl-4-phenylbut-3-enyl]imidazole Traditional Name: 1-[(E)-2-(octylthio)-4-phenyl-but-3-enyl]imidazole Formula: C21H30N2S MolecularWeight: 342.5413

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC(CN1C=CN=C1)C=CC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCSC(CN1C=CN=C1)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C21H30N2S/c1-2-3-4-5-6-10-17-24-21(18-23-16-15-22-19-23)14-13-20-11-8-7-9-12-20/h7-9,11-16,19,21H,2-6,10,17-18H2,1H3/b14-13+