N-butyl-N-[1-(1H-imidazol-5-yl)-2,2,2-triphenyl-ethyl]-4-phenylsulfanyl-aniline

Systemtic Name: N-butyl-N-[1-(1H-imidazol-5-yl)-2,2,2-triphenyl-ethyl]-4-phenylsulfanyl-aniline Openeye Name: N-butyl-N-[1-(1H-imidazol-5-yl)-2,2,2-triphenyl-ethyl]-4-phenylsulfanyl-aniline CAS Name: N-butyl-N-[1-(1H-imidazol-5-yl)-2,2,2-triphenylethyl]-4-(phenylthio)aniline IUPAC Name: N-butyl-N-[1-(1H-imidazol-5-yl)-2,2,2-triphenylethyl]-4-phenylsulfanylaniline Traditional Name: butyl-[1-(1H-imidazol-5-yl)-2,2,2-triphenyl-ethyl]-[4-(phenylthio)phenyl]amine Formula: C39H37N3S MolecularWeight: 579.79618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=C(C=C1)SC2=CC=CC=C2)C(C3=CN=CN3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CCCCN(C1=CC=C(C=C1)SC2=CC=CC=C2)C(C3=CN=CN3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C39H37N3S/c1-2-3-28-42(34-24-26-36(27-25-34)43-35-22-14-7-15-23-35)38(37-29-40-30-41-37)39(31-16-8-4-9-17-31,32-18-10-5-11-19-32)33-20-12-6-13-21-33/h4-27,29-30,38H,2-3,28H2,1H3,(H,40,41)