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

Systemtic Name: 1-[5-(2-cyclohexyl-1,3-benzodithiol-2-yl)-1H-pyrrol-3-yl]hexan-1-one Openeye Name: 1-[5-(2-cyclohexyl-1,3-benzodithiol-2-yl)-1H-pyrrol-3-yl]hexan-1-one CAS Name: 1-[5-(2-cyclohexyl-1,3-benzodithiol-2-yl)-1H-pyrrol-3-yl]-1-hexanone IUPAC Name: 1-[5-(2-cyclohexyl-1,3-benzodithiol-2-yl)-1H-pyrrol-3-yl]hexan-1-one Traditional Name: 1-[5-(2-cyclohexyl-1,3-benzodithiol-2-yl)-1H-pyrrol-3-yl]hexan-1-one Formula: C23H29NOS2 MolecularWeight: 399.61246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=CNC(=C1)C2(SC3=CC=CC=C3S2)C4CCCCC4

Isomeric SMILES

CCCCCC(=O)C1=CNC(=C1)C2(SC3=CC=CC=C3S2)C4CCCCC4

InChI

InChI=1S/C23H29NOS2/c1-2-3-5-12-19(25)17-15-22(24-16-17)23(18-10-6-4-7-11-18)26-20-13-8-9-14-21(20)27-23/h8-9,13-16,18,24H,2-7,10-12H2,1H3