5-benzo[b]pyren-6-yl-1-morpholin-4-yl-pentane-1-thione

Systemtic Name: 5-benzo[b]pyren-6-yl-1-morpholin-4-yl-pentane-1-thione Openeye Name: 5-benzo[b]pyren-6-yl-1-morpholino-pentane-1-thione CAS Name: 5-(6-benzo[b]pyrenyl)-1-(4-morpholinyl)-1-pentanethione IUPAC Name: 5-benzo[b]pyren-6-yl-1-morpholin-4-ylpentane-1-thione Traditional Name: 5-benzo[b]pyren-6-yl-1-morpholino-pentane-1-thione Formula: C29H27NOS MolecularWeight: 437.59578

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=S)CCCCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C6=CC=CC=C62

Isomeric SMILES

C1COCCN1C(=S)CCCCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C6=CC=CC=C62

InChI

InChI=1S/C29H27NOS/c32-27(30-16-18-31-19-17-30)11-4-3-10-24-22-8-1-2-9-23(22)25-14-12-20-6-5-7-21-13-15-26(24)29(25)28(20)21/h1-2,5-9,12-15H,3-4,10-11,16-19H2