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

Systemtic Name: 1-[(E)-2-heptylsulfanyl-4-phenyl-but-3-enyl]imidazole Openeye Name: 1-[(E)-2-heptylsulfanyl-4-phenyl-but-3-enyl]imidazole CAS Name: 1-[(E)-2-(heptylthio)-4-phenylbut-3-enyl]imidazole IUPAC Name: 1-[(E)-2-heptylsulfanyl-4-phenylbut-3-enyl]imidazole Traditional Name: 1-[(E)-2-(heptylthio)-4-phenyl-but-3-enyl]imidazole Formula: C20H28N2S MolecularWeight: 328.51472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2S/c1-2-3-4-5-9-16-23-20(17-22-15-14-21-18-22)13-12-19-10-7-6-8-11-19/h6-8,10-15,18,20H,2-5,9,16-17H2,1H3/b13-12+