2-[2-(dibutylamino)-4-phenylsulfanyl-phenyl]-2-(1,2-dihydroimidazol-3-ylmethyl)pent-4-enenitrile

Systemtic Name: 2-[2-(dibutylamino)-4-phenylsulfanyl-phenyl]-2-(1,2-dihydroimidazol-3-ylmethyl)pent-4-enenitrile Openeye Name: 2-[2-(dibutylamino)-4-phenylsulfanyl-phenyl]-2-(1,2-dihydroimidazol-3-ylmethyl)pent-4-enenitrile CAS Name: 2-[2-(dibutylamino)-4-(phenylthio)phenyl]-2-(1,2-dihydroimidazol-3-ylmethyl)-4-pentenenitrile IUPAC Name: 2-[2-(dibutylamino)-4-phenylsulfanylphenyl]-2-(1,2-dihydroimidazol-3-ylmethyl)pent-4-enenitrile Traditional Name: 2-[2-(dibutylamino)-4-(phenylthio)phenyl]-2-(4-imidazolin-1-ylmethyl)pent-4-enenitrile Formula: C29H38N4S MolecularWeight: 474.70382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C1=C(C=CC(=C1)SC2=CC=CC=C2)C(CC=C)(CN3CNC=C3)C#N

Isomeric SMILES

CCCCN(CCCC)C1=C(C=CC(=C1)SC2=CC=CC=C2)C(CC=C)(CN3CNC=C3)C#N

InChI

InChI=1S/C29H38N4S/c1-4-7-18-33(19-8-5-2)28-21-26(34-25-12-10-9-11-13-25)14-15-27(28)29(22-30,16-6-3)23-32-20-17-31-24-32/h6,9-15,17,20-21,31H,3-5,7-8,16,18-19,23-24H2,1-2H3