1-[5-(2-pentyl-1,3-benzodithiol-2-yl)-1H-pyrrol-3-yl]hexan-1-one

Systemtic Name: 1-[5-(2-pentyl-1,3-benzodithiol-2-yl)-1H-pyrrol-3-yl]hexan-1-one Openeye Name: 1-[5-(2-pentyl-1,3-benzodithiol-2-yl)-1H-pyrrol-3-yl]hexan-1-one CAS Name: 1-[5-(2-pentyl-1,3-benzodithiol-2-yl)-1H-pyrrol-3-yl]-1-hexanone IUPAC Name: 1-[5-(2-pentyl-1,3-benzodithiol-2-yl)-1H-pyrrol-3-yl]hexan-1-one Traditional Name: 1-[5-(2-amyl-1,3-benzodithiol-2-yl)-1H-pyrrol-3-yl]hexan-1-one Formula: C22H29NOS2 MolecularWeight: 387.60176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=CNC(=C1)C2(SC3=CC=CC=C3S2)CCCCC

Isomeric SMILES

CCCCCC(=O)C1=CNC(=C1)C2(SC3=CC=CC=C3S2)CCCCC

InChI

InChI=1S/C22H29NOS2/c1-3-5-7-11-18(24)17-15-21(23-16-17)22(14-10-6-4-2)25-19-12-8-9-13-20(19)26-22/h8-9,12-13,15-16,23H,3-7,10-11,14H2,1-2H3