3-(2-pentyl-1,3-benzodithiol-2-yl)-1H-pyrrole

Systemtic Name: 3-(2-pentyl-1,3-benzodithiol-2-yl)-1H-pyrrole Openeye Name: 3-(2-pentyl-1,3-benzodithiol-2-yl)-1H-pyrrole CAS Name: 3-(2-pentyl-1,3-benzodithiol-2-yl)-1H-pyrrole IUPAC Name: 3-(2-pentyl-1,3-benzodithiol-2-yl)-1H-pyrrole Traditional Name: 3-(2-amyl-1,3-benzodithiol-2-yl)-1H-pyrrole Formula: C16H19NS2 MolecularWeight: 289.45876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(SC2=CC=CC=C2S1)C3=CNC=C3

Isomeric SMILES

CCCCCC1(SC2=CC=CC=C2S1)C3=CNC=C3

InChI

InChI=1S/C16H19NS2/c1-2-3-6-10-16(13-9-11-17-12-13)18-14-7-4-5-8-15(14)19-16/h4-5,7-9,11-12,17H,2-3,6,10H2,1H3