N-[4-(1,4,5-triphenylimidazol-2-yl)sulfanylbutyl]naphthalene-2-carboxamide

Systemtic Name: N-[4-(1,4,5-triphenylimidazol-2-yl)sulfanylbutyl]naphthalene-2-carboxamide Openeye Name: N-[4-(1,4,5-triphenylimidazol-2-yl)sulfanylbutyl]naphthalene-2-carboxamide CAS Name: N-[4-[(1,4,5-triphenyl-2-imidazolyl)thio]butyl]-2-naphthalenecarboxamide IUPAC Name: N-[4-(1,4,5-triphenylimidazol-2-yl)sulfanylbutyl]naphthalene-2-carboxamide Traditional Name: N-[4-[(1,4,5-triphenylimidazol-2-yl)thio]butyl]-2-naphthamide Formula: C36H31N3OS MolecularWeight: 553.71584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N(C(=N2)SCCCCNC(=O)C3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N(C(=N2)SCCCCNC(=O)C3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C36H31N3OS/c40-35(31-23-22-27-14-10-11-19-30(27)26-31)37-24-12-13-25-41-36-38-33(28-15-4-1-5-16-28)34(29-17-6-2-7-18-29)39(36)32-20-8-3-9-21-32/h1-11,14-23,26H,12-13,24-25H2,(H,37,40)