N-heptyl-4-[5-(1H-imidazol-2-ylsulfanyl)pentyl]-5,6-diphenyl-1,3-benzoxazol-2-amine

Systemtic Name: N-heptyl-4-[5-(1H-imidazol-2-ylsulfanyl)pentyl]-5,6-diphenyl-1,3-benzoxazol-2-amine Openeye Name: N-heptyl-4-[5-(1H-imidazol-2-ylsulfanyl)pentyl]-5,6-diphenyl-1,3-benzoxazol-2-amine CAS Name: N-heptyl-4-[5-(1H-imidazol-2-ylthio)pentyl]-5,6-diphenyl-1,3-benzoxazol-2-amine IUPAC Name: N-heptyl-4-[5-(1H-imidazol-2-ylsulfanyl)pentyl]-5,6-diphenyl-1,3-benzoxazol-2-amine Traditional Name: heptyl-[4-[5-(1H-imidazol-2-ylthio)pentyl]-5,6-diphenyl-1,3-benzoxazol-2-yl]amine Formula: C34H40N4OS MolecularWeight: 552.7726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC1=NC2=C(O1)C=C(C(=C2CCCCCSC3=NC=CN3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCCCCCCNC1=NC2=C(O1)C=C(C(=C2CCCCCSC3=NC=CN3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C34H40N4OS/c1-2-3-4-5-14-21-35-33-38-32-28(20-13-8-15-24-40-34-36-22-23-37-34)31(27-18-11-7-12-19-27)29(25-30(32)39-33)26-16-9-6-10-17-26/h6-7,9-12,16-19,22-23,25H,2-5,8,13-15,20-21,24H2,1H3,(H,35,38)(H,36,37)